A0A3Q0KI07_SCHMA Loading...

Cyclin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KI07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 422 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64.5Low79.6Confident201 Ų201110.5 Ų110.599%0.9954%0.543SS*.  0-44.90-126.5-170.8-7300111.8C4 K5M1-C4 PolarHBondContact O-N 3.1Å; M1-K5 PolarHBondContact O-N 3.08Å
2E69.3Low80.9Confident160 Ų160104.9 Ų104.975%0.74852%0.517SS*.Hα-helixtrans-61.5-46.2-178.3-165.2166.4-164.800113.8C4 K5 V6E2-C4 PolarHBondContact O-N 3.32Å; E2-K5 WeakPolarHBondContact O-CA 3.38Å; E2-K5 WeakPolarHBondContact O-CB 3.26Å; E2-K5 PolarHBondContact O-N 2.93Å; E2-V6 PolarHBondContact O-N 2.99Å
3Q64.4Low81.8Confident145 Ų14599 Ų9968%0.67850%0.495SS*.Hα-helixtrans-54.3-39.4175.8-169.863.122.700113K5 V6 E7Q3-K5 VanDerWaalsContact C-N 3.34Å; Q3-K5 PolarHBondContact O-N 3.17Å; Q3-V6 PolarHBondContact O-N 2.93Å; Q3-E7 WeakPolarHBondContact O-CB 3.23Å; Q3-E7 PolarHBondContact O-N 3.44Å
4C78.2Confident82.8Confident52 Ų5297.9 Ų97.935%0.35148%0.482SS..Hα-helixtrans-70.8-29.5178.9-171.50000112.3M1 E2 R8M1-C4 PolarHBondContact O-N 3.1Å; E2-C4 PolarHBondContact O-N 3.32Å; C4-R8 VanDerWaalsContact O-CG 3.26Å; C4-R8 WeakPolarHBondContact O-CG 3.04Å; C4-R8 PolarHBondContact O-N 3.37Å; C4-R8 PolarHBondContact O-NE 3.36Å; C4-R8 PolarHBondContact SG-NE 3.27Å; C4-R8 VanDerWaalsContact SG-NE 3.39Å; C4-R8 PolarHBondContact SG-NH2 2.93Å
5K79Confident83.8Confident130 Ų13092.7 Ų92.757%0.56546%0.455SS*.Hα-helixtrans-71.2-46.9173.2-69.6-175176.4-175.80110.8M1 E2 Q3 E7 R8 S9M1-K5 PolarHBondContact O-N 3.08Å; E2-K5 WeakPolarHBondContact O-CA 3.38Å; E2-K5 WeakPolarHBondContact O-CB 3.26Å; E2-K5 PolarHBondContact O-N 2.93Å; Q3-K5 VanDerWaalsContact C-N 3.34Å; Q3-K5 PolarHBondContact O-N 3.17Å; K5-E7 VanDerWaalsContact C-N 3.32Å; K5-E7 PolarHBondContact O-N 3.4Å; K5-R8 PolarHBondContact O-N 3.07Å; K5-S9 PolarHBondContact O-N 2.97Å; K5-S9 PolarHBondContact O-OG 3.39Å
6V81.2Confident84.6Confident83 Ų8387.5 Ų87.550%0.50343%0.429SS..Hα-helixtrans-58.1-45.3178.4176.30000111.1E2 Q3 S9 L10E2-V6 PolarHBondContact O-N 2.99Å; Q3-V6 PolarHBondContact O-N 2.93Å; V6-S9 PolarHBondContact O-N 3.24Å; V6-L10 WeakPolarHBondContact O-CB 3.27Å; V6-L10 PolarHBondContact O-N 3.28Å
7E83.5Confident85.2Confident96 Ų9687.2 Ų87.245%0.44943%0.427SS..Hα-helixtrans-61.9-44.2177.3-173.6-179.7-179.100112.2Q3 K5 S9 L10 H11Q3-E7 WeakPolarHBondContact O-CB 3.23Å; Q3-E7 PolarHBondContact O-N 3.44Å; K5-E7 VanDerWaalsContact C-N 3.32Å; K5-E7 PolarHBondContact O-N 3.4Å; E7-S9 PolarHBondContact O-N 3.14Å; E7-L10 PolarHBondContact O-N 3.31Å; E7-H11 WeakPolarHBondContact O-CB 3.44Å; E7-H11 PolarHBondContact O-CD2 3.49Å; E7-H11 VanDerWaalsContact O-CG 3.28Å; E7-H11 PolarHBondContact O-N 2.64Å; E7-H11 IonicContact OE1-CE1 3.51Å; E7-H11 PolarHBondContact OE1-CE1 3.16Å; E7-H11 IonicContact OE1-NE2 2.82Å
8R85.3Confident85.9Confident160 Ų16082.3 Ų82.360%0.60440%0.403SS*.Hα-helixtrans-61.6-44.3175.9-76.3-179-124.7166.7-7.1112.3C4 K5 L10 H11 L12C4-R8 VanDerWaalsContact O-CG 3.26Å; C4-R8 WeakPolarHBondContact O-CG 3.04Å; C4-R8 PolarHBondContact O-N 3.37Å; C4-R8 PolarHBondContact O-NE 3.36Å; C4-R8 PolarHBondContact SG-NE 3.27Å; C4-R8 VanDerWaalsContact SG-NE 3.39Å; C4-R8 PolarHBondContact SG-NH2 2.93Å; K5-R8 PolarHBondContact O-N 3.07Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 2.91Å; R8-H11 PolarHBondContact O-N 3.1Å; R8-L12 PolarHBondContact O-N 3.17Å
9S87.3Confident86.6Confident73 Ų7378 Ų7851%0.5138%0.382SS..Hα-helixtrans-62.5-41.3177.1-620000111.5K5 V6 E7 L12 A13K5-S9 PolarHBondContact O-N 2.97Å; K5-S9 PolarHBondContact O-OG 3.39Å; V6-S9 PolarHBondContact O-N 3.24Å; E7-S9 PolarHBondContact O-N 3.14Å; S9-L12 PolarHBondContact O-N 3.3Å; S9-A13 WeakPolarHBondContact O-CB 3.4Å; S9-A13 PolarHBondContact O-N 2.97Å
10L89.9Confident87.1Confident71 Ų7174.2 Ų74.237%0.37236%0.363SS..Hα-helixtrans-63.6-47.4175.2179.962.2000111.6V6 E7 R8 L12 A13 R14V6-L10 WeakPolarHBondContact O-CB 3.27Å; V6-L10 PolarHBondContact O-N 3.28Å; E7-L10 PolarHBondContact O-N 3.31Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 2.91Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.38Å; L10-A13 PolarHBondContact O-N 3.01Å; L10-R14 HydrophobicContact CD1-CG 4.49Å; L10-R14 WeakPolarHBondContact O-CG 3.24Å; L10-R14 PolarHBondContact O-N 2.9Å
11H93Very high87.6Confident44 Ų4471.1 Ų71.120%0.20435%0.349CS..Hα-helixtrans-59.2-41.1177.8-71.3177.5000112E7 R8 R14 R15 S51E7-H11 WeakPolarHBondContact O-CB 3.44Å; E7-H11 PolarHBondContact O-CD2 3.49Å; E7-H11 VanDerWaalsContact O-CG 3.28Å; E7-H11 PolarHBondContact O-N 2.64Å; E7-H11 IonicContact OE1-CE1 3.51Å; E7-H11 PolarHBondContact OE1-CE1 3.16Å; E7-H11 IonicContact OE1-NE2 2.82Å; R8-H11 PolarHBondContact O-N 3.1Å; H11-R14 PolarHBondContact O-N 3.12Å; H11-R15 WeakPolarHBondContact O-CG 3.36Å; H11-R15 PolarHBondContact O-N 3.05Å; H11-R15 VanDerWaalsContact O-N 3.08Å; H11-S51 PolarHBondContact NE2-OG 3.38Å
12L94.5Very high89.3Confident44 Ų4461.6 Ų61.623%0.2330%0.301CS..Hα-helixtrans-64.5-46.7175.3-17660.5000111.5R8 S9 L10 R14 R15 Q16 T162 T218R8-L12 PolarHBondContact O-N 3.17Å; S9-L12 PolarHBondContact O-N 3.3Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.38Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 3.05Å; L12-R15 WeakPolarHBondContact O-CB 3.42Å; L12-R15 PolarHBondContact O-N 3.32Å; L12-R15 VanDerWaalsContact O-N 3.09Å; L12-Q16 HydrophobicContact CG-CG 4.5Å; L12-Q16 VanDerWaalsContact O-CG 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.5Å; L12-Q16 PolarHBondContact O-N 2.87Å; L12-T162 HydrophobicContact CD1-CG2 4.22Å; L12-T218 HydrophobicContact CD2-CG2 3.86Å
13A93.4Very high90.6Very high28 Ų2854 Ų5423%0.23127%0.266CS..Hα-helixtrans-58.9-37.717700000112.4S9 L10 Q16 Q17S9-A13 WeakPolarHBondContact O-CB 3.4Å; S9-A13 PolarHBondContact O-N 2.97Å; L10-A13 PolarHBondContact O-N 3.01Å; A13-Q16 WeakPolarHBondContact O-CB 3.48Å; A13-Q16 PolarHBondContact O-N 3.38Å; A13-Q17 WeakPolarHBondContact O-CG 3.33Å; A13-Q17 PolarHBondContact O-N 2.88Å
14R95.4Very high92.2Very high84 Ų8448.8 Ų48.832%0.31724%0.241SC..Hα-helixtrans-66.1-39.9174.4-67.2-62.8-170.8-160.1-1112.8L10 H11 L12 Q17 C18 P52 E53 P57L10-R14 HydrophobicContact CD1-CG 4.49Å; L10-R14 WeakPolarHBondContact O-CG 3.24Å; L10-R14 PolarHBondContact O-N 2.9Å; H11-R14 PolarHBondContact O-N 3.12Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 3.05Å; R14-Q17 PolarHBondContact O-N 2.89Å; R14-C18 WeakPolarHBondContact O-CB 3.49Å; R14-C18 PolarHBondContact O-N 3.46Å; R14-P52 HydrophobicContact CB-CB 3.42Å; R14-P52 VanDerWaalsContact CB-CB 3.42Å; R14-P52 HydrophobicContact CB-CG 4.04Å; R14-P52 HydrophobicContact CG-CB 4.03Å; R14-E53 IonicContact NE-OE1 3.79Å; R14-E53 PolarHBondContact NE-OE1 3.42Å; R14-P57 HydrophobicContact CB-CG 4.29Å
15R97.1Very high93.1Very high20 Ų2046.3 Ų46.38%0.07523%0.225CC..Hα-helixtrans-61.7-44.2173-73.2169.8169.4-108.52.6111H11 L12 C18 A19 M43 H44 Y47 P52H11-R15 WeakPolarHBondContact O-CG 3.36Å; H11-R15 PolarHBondContact O-N 3.05Å; H11-R15 VanDerWaalsContact O-N 3.08Å; L12-R15 WeakPolarHBondContact O-CB 3.42Å; L12-R15 PolarHBondContact O-N 3.32Å; L12-R15 VanDerWaalsContact O-N 3.09Å; R15-C18 WeakPolarHBondContact O-CB 3.48Å; R15-C18 PolarHBondContact O-N 3.41Å; R15-C18 VanDerWaalsContact O-N 3.17Å; R15-A19 PolarHBondContact O-N 3.17Å; R15-M43 HydrophobicContact CB-SD 4.2Å; R15-M43 HydrophobicContact CG-SD 4.22Å; R15-M43 WeakPolarHBondContact O-CE 3.3Å; R15-H44 PolarHBondContact NH1-ND1 3.46Å; R15-H44 PolarHBondContact NH1-O 3.24Å; R15-H44 PolarHBondContact NH2-O 3.28Å; R15-Y47 HydrophobicContact CG-CD2 3.87Å; R15-Y47 HydrophobicContact CG-CG 4.45Å; R15-Y47 VanDerWaalsContact CZ-CB 3.48Å; R15-Y47 PolarHBondContact NH2-O 3.03Å; R15-P52 HydrophobicContact CG-CG 4.34Å
16Q96.9Very high94Very high9 Ų940.1 Ų40.14%0.04220%0.198CC..Hα-helixtrans-61.3-45.2178-69.4172.6-11.400112.3L12 A13 C18 A19 C20 L160 I226L12-Q16 HydrophobicContact CG-CG 4.5Å; L12-Q16 VanDerWaalsContact O-CG 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.5Å; L12-Q16 PolarHBondContact O-N 2.87Å; A13-Q16 WeakPolarHBondContact O-CB 3.48Å; A13-Q16 PolarHBondContact O-N 3.38Å; Q16-C18 VanDerWaalsContact C-N 3.31Å; Q16-C18 PolarHBondContact O-N 3.03Å; Q16-A19 PolarHBondContact O-N 2.95Å; Q16-C20 PolarHBondContact O-N 3.07Å; Q16-C20 PolarHBondContact O-SG 3.48Å; Q16-L160 HydrophobicContact CG-CD2 4.23Å; Q16-L160 PolarHBondContact NE2-O 2.93Å; Q16-I226 HydrophobicContact CB-CD1 4.06Å; Q16-I226 HydrophobicContact CB-CG2 3.96Å
17Q95.5Very high94.6Very high82 Ų8236.6 Ų36.638%0.38318%0.177SC..Hα-helixtrans-60.8-40.7173.6-72.7171.9-2.700111.8A13 R14 L21 I226A13-Q17 WeakPolarHBondContact O-CG 3.33Å; A13-Q17 PolarHBondContact O-N 2.88Å; R14-Q17 PolarHBondContact O-N 2.89Å; Q17-L21 WeakPolarHBondContact O-CB 3.37Å; Q17-L21 PolarHBondContact O-N 3.47Å; Q17-I226 HydrophobicContact CG-CD1 4.34Å
18C98.1Very high95.1Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-63.6-46.2176.2-159.70000111.6R14 R15 Q16 C20 L21 I22 M43 Y47 P57R14-C18 WeakPolarHBondContact O-CB 3.49Å; R14-C18 PolarHBondContact O-N 3.46Å; R15-C18 WeakPolarHBondContact O-CB 3.48Å; R15-C18 PolarHBondContact O-N 3.41Å; R15-C18 VanDerWaalsContact O-N 3.17Å; Q16-C18 VanDerWaalsContact C-N 3.31Å; Q16-C18 PolarHBondContact O-N 3.03Å; C18-C20 PolarHBondContact O-N 3.27Å; C18-L21 WeakPolarHBondContact O-CB 3.4Å; C18-L21 PolarHBondContact O-N 2.96Å; C18-I22 WeakPolarHBondContact O-CG1 3.48Å; C18-I22 PolarHBondContact O-N 3.44Å; C18-M43 HydrophobicContact CB-CE 4.38Å; C18-M43 HydrophobicContact CB-CG 4.04Å; C18-M43 HydrophobicContact CB-SD 4.11Å; C18-M43 VanDerWaalsContact SG-CG 3.52Å; C18-Y47 HydrophobicContact CB-CE2 4.23Å; C18-P57 HydrophobicContact CB-CB 3.99Å; C18-P57 PolarHBondContact SG-O 3.17Å
19A98.6Very high95.5Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-59.9-45.6177.400000112R15 Q16 L21 I22 Q23 I40 M43 H159R15-A19 PolarHBondContact O-N 3.17Å; Q16-A19 PolarHBondContact O-N 2.95Å; A19-L21 VanDerWaalsContact C-N 3.32Å; A19-L21 PolarHBondContact O-N 3.22Å; A19-I22 PolarHBondContact O-N 3.49Å; A19-Q23 PolarHBondContact O-N 3.35Å; A19-I40 HydrophobicContact CB-CD1 4.29Å; A19-I40 HydrophobicContact CB-CG1 4.34Å; A19-I40 HydrophobicContact CB-CG2 3.8Å; A19-I40 WeakPolarHBondContact O-CD1 3.45Å; A19-M43 HydrophobicContact CB-CE 3.8Å; A19-H159 HydrophobicContact CB-CB 4.21Å
20C97.4Very high95.8Very high2 Ų233.9 Ų33.91%0.01416%0.16CC..Hα-helixtrans-60.1-42.1175.6-66.70000111.8Q16 C18 Q23 E24Q16-C20 PolarHBondContact O-N 3.07Å; Q16-C20 PolarHBondContact O-SG 3.48Å; C18-C20 PolarHBondContact O-N 3.27Å; C20-Q23 WeakPolarHBondContact O-CB 3.46Å; C20-Q23 PolarHBondContact O-N 2.98Å; C20-E24 PolarHBondContact O-N 2.95Å
21L97.9Very high95.9Very high10 Ų1031 Ų315%0.05215%0.145CC..Hα-helixtrans-63.3-43176.9-179.258.9000111.8Q17 C18 A19 E24 I25 I58 A61 I88 L89Q17-L21 WeakPolarHBondContact O-CB 3.37Å; Q17-L21 PolarHBondContact O-N 3.47Å; C18-L21 WeakPolarHBondContact O-CB 3.4Å; C18-L21 PolarHBondContact O-N 2.96Å; A19-L21 VanDerWaalsContact C-N 3.32Å; A19-L21 PolarHBondContact O-N 3.22Å; L21-E24 PolarHBondContact O-N 3.25Å; L21-I25 HydrophobicContact CD1-CD1 4.1Å; L21-I25 HydrophobicContact CD1-CG1 4.19Å; L21-I25 HydrophobicContact CG-CD1 3.89Å; L21-I25 HydrophobicContact CG-CG1 4.44Å; L21-I25 VanDerWaalsContact O-CG1 3.23Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.1Å; L21-I58 HydrophobicContact CD2-CB 4.32Å; L21-I58 HydrophobicContact CD2-CG1 4.24Å; L21-A61 HydrophobicContact CB-CB 4.29Å; L21-A61 HydrophobicContact CD2-CB 3.68Å; L21-A61 HydrophobicContact CG-CB 3.93Å; L21-I88 HydrophobicContact CD1-CB 4.01Å; L21-I88 HydrophobicContact CD1-CD1 4.07Å; L21-I88 HydrophobicContact CD1-CG2 3.62Å; L21-L89 HydrophobicContact CD1-CD2 4.35Å; L21-L89 HydrophobicContact CD1-CG 4.21Å; L21-L89 HydrophobicContact CD2-CD1 4.16Å
22I98.7Very high95.9Very high0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-62-44.4175.6-64.9165.9000110.7C18 A19 E24 I25 G26 I36 I40 M43 A61 F65C18-I22 WeakPolarHBondContact O-CG1 3.48Å; C18-I22 PolarHBondContact O-N 3.44Å; A19-I22 PolarHBondContact O-N 3.49Å; I22-E24 VanDerWaalsContact C-N 3.32Å; I22-E24 PolarHBondContact O-N 2.93Å; I22-I25 PolarHBondContact O-N 2.64Å; I22-G26 PolarHBondContact O-N 2.94Å; I22-I36 HydrophobicContact CG2-CG2 4.39Å; I22-I40 HydrophobicContact CB-CD1 4.19Å; I22-I40 HydrophobicContact CB-CG1 3.71Å; I22-I40 HydrophobicContact CD1-CG1 3.9Å; I22-I40 HydrophobicContact CG1-CG1 4.41Å; I22-I40 HydrophobicContact CG2-CD1 4.14Å; I22-I40 HydrophobicContact CG2-CG1 3.6Å; I22-M43 HydrophobicContact CD1-CB 3.81Å; I22-M43 HydrophobicContact CD1-CG 4.17Å; I22-A61 HydrophobicContact CD1-CB 4.39Å; I22-A61 HydrophobicContact CG1-CB 3.68Å; I22-F65 HydrophobicContact CG2-CB 4.16Å; I22-F65 HydrophobicContact CG2-CD2 3.67Å; I22-F65 HydrophobicContact CG2-CE2 4.49Å; I22-F65 HydrophobicContact CG2-CG 4.21Å
23Q98Very high95.9Very high0 Ų031.8 Ų31.80%015%0.152CC..Hα-helixtrans-57.7-44.3175.9178.467.75600111.7A19 C20 S27 I36 I40 H159 L230 L234A19-Q23 PolarHBondContact O-N 3.35Å; C20-Q23 WeakPolarHBondContact O-CB 3.46Å; C20-Q23 PolarHBondContact O-N 2.98Å; Q23-S27 PolarHBondContact NE2-OG 2.86Å; Q23-S27 VanDerWaalsContact O-CB 3.29Å; Q23-S27 WeakPolarHBondContact O-CB 3.34Å; Q23-S27 PolarHBondContact O-N 3.19Å; Q23-S27 PolarHBondContact O-OG 3.04Å; Q23-I36 HydrophobicContact CB-CG2 4.27Å; Q23-I40 HydrophobicContact CB-CD1 4.49Å; Q23-H159 PolarHBondContact OE1-NE2 3.25Å; Q23-L230 HydrophobicContact CG-CD1 4.27Å; Q23-L234 HydrophobicContact CG-CD2 4.4Å
24E97.2Very high96Very high36 Ų3632.8 Ų32.817%0.16816%0.156CC..Hα-helixtrans-69.7-42.4178.5-76.3-169.3-136.600113.2C20 L21 I22 G26 S27 R28 I88 Q229 S233C20-E24 PolarHBondContact O-N 2.95Å; L21-E24 PolarHBondContact O-N 3.25Å; I22-E24 VanDerWaalsContact C-N 3.32Å; I22-E24 PolarHBondContact O-N 2.93Å; E24-G26 PolarHBondContact O-N 3.32Å; E24-S27 PolarHBondContact O-N 2.95Å; E24-R28 WeakPolarHBondContact O-CG 3.43Å; E24-R28 PolarHBondContact O-N 3.05Å; E24-I88 HydrophobicContact CB-CD1 3.53Å; E24-I88 HydrophobicContact CB-CG1 4.07Å; E24-I88 HydrophobicContact CB-CG2 4.28Å; E24-I88 WeakPolarHBondContact OE2-CG2 3.27Å; E24-Q229 PolarHBondContact OE1-NE2 3.45Å; E24-S233 WeakPolarHBondContact CG-OG 3.38Å
25I97.7Very high96.1Very high0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-57.9-51.4176.5-68.7164.6000109.3L21 I22 S27 R28 L29 A61 I62 F65 A84 A85 I88L21-I25 HydrophobicContact CD1-CD1 4.1Å; L21-I25 HydrophobicContact CD1-CG1 4.19Å; L21-I25 HydrophobicContact CG-CD1 3.89Å; L21-I25 HydrophobicContact CG-CG1 4.44Å; L21-I25 VanDerWaalsContact O-CG1 3.23Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.1Å; I22-I25 PolarHBondContact O-N 2.64Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.43Å; I25-R28 PolarHBondContact O-N 3.23Å; I25-L29 HydrophobicContact CG2-CD1 3.8Å; I25-L29 HydrophobicContact CG2-CG 4.48Å; I25-L29 WeakPolarHBondContact O-CB 3.42Å; I25-L29 WeakPolarHBondContact O-CG 3.27Å; I25-L29 PolarHBondContact O-N 2.94Å; I25-A61 HydrophobicContact CD1-CB 4.46Å; I25-I62 HydrophobicContact CD1-CG1 4.49Å; I25-F65 HydrophobicContact CG2-CD1 3.65Å; I25-F65 HydrophobicContact CG2-CE1 3.78Å; I25-F65 HydrophobicContact CG2-CG 4.5Å; I25-A84 HydrophobicContact CG2-CB 4.27Å; I25-A85 HydrophobicContact CD1-CB 3.67Å; I25-A85 HydrophobicContact CG1-CB 4.11Å; I25-I88 HydrophobicContact CB-CD1 4.27Å; I25-I88 HydrophobicContact CG1-CD1 3.56Å
26G96.7Very high96.1Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-65.8-35.1-178.900000113.4I22 E24 L29 Q30 T31I22-G26 PolarHBondContact O-N 2.94Å; E24-G26 PolarHBondContact O-N 3.32Å; G26-L29 PolarHBondContact O-N 3.4Å; G26-Q30 PolarHBondContact O-N 3.38Å; G26-Q30 VanDerWaalsContact O-N 3.09Å; G26-T31 WeakPolarHBondContact CA-OG1 3.28Å; G26-T31 PolarHBondContact O-N 3.2Å; G26-T31 PolarHBondContact O-OG1 3.47Å
27S94.6Very high96.1Very high9 Ų927.5 Ų27.56%0.06314%0.136CC..Hα-helixtrans-65.3-45174.8-580000111.3Q23 E24 I25 L29 Q30Q23-S27 PolarHBondContact NE2-OG 2.86Å; Q23-S27 VanDerWaalsContact O-CB 3.29Å; Q23-S27 WeakPolarHBondContact O-CB 3.34Å; Q23-S27 PolarHBondContact O-N 3.19Å; Q23-S27 PolarHBondContact O-OG 3.04Å; E24-S27 PolarHBondContact O-N 2.95Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.43Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 3.42Å; S27-Q30 PolarHBondContact O-N 3.29Å; S27-Q30 VanDerWaalsContact O-N 3.14Å
28R93.9Very high96.2Very high106 Ų10623.6 Ų23.640%0.412%0.117SC..Hα-helixtrans-64.4-37176.6-73.4-169.6-175.4-168.97.3113E24 I25 Q30 D87E24-R28 WeakPolarHBondContact O-CG 3.43Å; E24-R28 PolarHBondContact O-N 3.05Å; I25-R28 PolarHBondContact O-N 3.23Å; R28-Q30 PolarHBondContact O-N 3.42Å; R28-D87 VanDerWaalsContact NH1-C 3.28Å; R28-D87 VanDerWaalsContact NH1-CB 3.26Å; R28-D87 PolarHBondContact NH1-O 2.91Å
29L94.3Very high96.3Very high31 Ų3123.6 Ų23.616%0.16212%0.117CC..THydrogen-bonded Turntrans-82.54.3177.5-64.1178.3000113.4I25 G26 S27 T31 F65 F80 L81 A84I25-L29 HydrophobicContact CG2-CD1 3.8Å; I25-L29 HydrophobicContact CG2-CG 4.48Å; I25-L29 WeakPolarHBondContact O-CB 3.42Å; I25-L29 WeakPolarHBondContact O-CG 3.27Å; I25-L29 PolarHBondContact O-N 2.94Å; G26-L29 PolarHBondContact O-N 3.4Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 3.42Å; L29-T31 HydrophobicContact CB-CG2 3.86Å; L29-T31 PolarHBondContact O-N 3.03Å; L29-F65 HydrophobicContact CD1-CE1 4.09Å; L29-F80 HydrophobicContact CD2-CB 4.32Å; L29-L81 HydrophobicContact CD1-CD1 3.62Å; L29-L81 HydrophobicContact CD1-CG 3.85Å; L29-A84 HydrophobicContact CD2-CB 4.41Å; L29-A84 HydrophobicContact CG-CB 4.37Å
30Q91.9Very high96.3Very high136 Ų13623.6 Ų23.664%0.63612%0.117SC*.THydrogen-bonded Turntrans53.341.2177.5-56.2177.236.100112.7G26 S27 R28G26-Q30 PolarHBondContact O-N 3.38Å; G26-Q30 VanDerWaalsContact O-N 3.09Å; S27-Q30 PolarHBondContact O-N 3.29Å; S27-Q30 VanDerWaalsContact O-N 3.14Å; R28-Q30 PolarHBondContact O-N 3.42Å
31T92.8Very high96.3Very high11 Ų1125.4 Ų25.47%0.06712%0.124CC..  trans-78.1-177.5177.873.10000110.4G26 L29 I36 F65 F74 R237G26-T31 WeakPolarHBondContact CA-OG1 3.28Å; G26-T31 PolarHBondContact O-N 3.2Å; G26-T31 PolarHBondContact O-OG1 3.47Å; L29-T31 HydrophobicContact CB-CG2 3.86Å; L29-T31 PolarHBondContact O-N 3.03Å; T31-I36 WeakPolarHBondContact OG1-CG1 3.38Å; T31-F65 HydrophobicContact CG2-CE1 4.2Å; T31-F65 HydrophobicContact CG2-CZ 3.57Å; T31-F74 HydrophobicContact CG2-CD1 3.74Å; T31-F74 HydrophobicContact CG2-CE1 3.09Å; T31-F74 HydrophobicContact CG2-CE2 4.44Å; T31-F74 HydrophobicContact CG2-CZ 3.48Å; T31-F74 VanDerWaalsContact CG2-CZ 3.48Å; T31-R237 VanDerWaalsContact C-NH2 3.32Å; T31-R237 PolarHBondContact O-NH2 3.49Å
32T93.9Very high96.3Very high75 Ų7524.9 Ų24.946%0.4612%0.122SC..  trans-85.9160.8171.670.20000110.9V34 V35 I36 R237T32-V34 PolarHBondContact O-N 3.32Å; T32-V35 PolarHBondContact O-N 2.98Å; T32-V35 WeakPolarHBondContact OG1-CG2 3.26Å; T32-V35 PolarHBondContact OG1-N 2.77Å; T32-I36 PolarHBondContact O-N 2.79Å; T32-R237 PolarHBondContact O-NH2 3.31Å; T32-R237 VanDerWaalsContact O-NH2 3.16Å
33Q94.2Very high96.3Very high28 Ų2824.9 Ų24.913%0.13112%0.122CC..Hα-helixtrans-67.3-28.9174.5-171.17155.700111.3V35 I36 N37 Y151 R237Q33-V35 PolarHBondContact O-N 3.39Å; Q33-I36 PolarHBondContact O-N 3.4Å; Q33-N37 PolarHBondContact NE2-OD1 3.03Å; Q33-N37 WeakPolarHBondContact O-CB 3.46Å; Q33-N37 PolarHBondContact O-N 3.03Å; Q33-N37 PolarHBondContact O-OD1 3.26Å; Q33-Y151 WeakPolarHBondContact CG-OH 3.46Å; Q33-R237 VanDerWaalsContact CA-NH1 3.34Å
34V95.1Very high96.3Very high49 Ų4924.9 Ų24.930%0.29712%0.122SC..Hα-helixtrans-58.2-48.6175.9176.70000110.7T32 I36 N37 A38 E72 Q128T32-V34 PolarHBondContact O-N 3.32Å; V34-I36 VanDerWaalsContact C-N 3.34Å; V34-I36 PolarHBondContact O-N 3.27Å; V34-N37 PolarHBondContact O-N 3.15Å; V34-A38 WeakPolarHBondContact O-CB 3.45Å; V34-A38 PolarHBondContact O-N 3.49Å; V34-E72 HydrophobicContact CG1-CG 4.43Å; V34-E72 WeakPolarHBondContact CG1-OE2 3.4Å; V34-Q128 HydrophobicContact CG1-CG 4.25Å
35V96.6Very high96.3Very high1 Ų125.1 Ų25.11%0.00612%0.121CC..Hα-helixtrans-61.7-42.1177.8-176.70000111.7T32 Q33 A38 G39 F65 A68 E72 F74T32-V35 PolarHBondContact O-N 2.98Å; T32-V35 WeakPolarHBondContact OG1-CG2 3.26Å; T32-V35 PolarHBondContact OG1-N 2.77Å; Q33-V35 PolarHBondContact O-N 3.39Å; V35-A38 PolarHBondContact O-N 3.37Å; V35-G39 PolarHBondContact O-N 3.33Å; V35-F65 HydrophobicContact CG1-CE2 3.85Å; V35-F65 HydrophobicContact CG1-CZ 4.22Å; V35-A68 HydrophobicContact CG1-CB 4.13Å; V35-A68 WeakPolarHBondContact O-CB 3.35Å; V35-E72 HydrophobicContact CB-CB 4.41Å; V35-E72 HydrophobicContact CG2-CB 3.52Å; V35-E72 HydrophobicContact CG2-CG 4.05Å; V35-F74 HydrophobicContact CG2-CB 4.18Å
36I97.9Very high96.3Very high0 Ų025.1 Ų25.10%012%0.121CC..Hα-helixtrans-63-47.4177.8-65.8-179000110.8I22 Q23 T31 T32 Q33 V34 A38 G39 I40 F65I22-I36 HydrophobicContact CG2-CG2 4.39Å; Q23-I36 HydrophobicContact CB-CG2 4.27Å; T31-I36 WeakPolarHBondContact OG1-CG1 3.38Å; T32-I36 PolarHBondContact O-N 2.79Å; Q33-I36 PolarHBondContact O-N 3.4Å; V34-I36 VanDerWaalsContact C-N 3.34Å; V34-I36 PolarHBondContact O-N 3.27Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.11Å; I36-G39 PolarHBondContact O-N 3.26Å; I36-I40 HydrophobicContact CG2-CD1 3.83Å; I36-I40 WeakPolarHBondContact O-CG1 3.21Å; I36-I40 PolarHBondContact O-N 3Å; I36-F65 HydrophobicContact CG1-CE2 3.94Å
37N98Very high96.3Very high2 Ų225.6 Ų25.61%0.01112%0.123CC..Hα-helixtrans-63.1-42.6-179.4-70.3-1.7000111.4Q33 V34 G39 I40 Y41 H130 L158Q33-N37 PolarHBondContact NE2-OD1 3.03Å; Q33-N37 WeakPolarHBondContact O-CB 3.46Å; Q33-N37 PolarHBondContact O-N 3.03Å; Q33-N37 PolarHBondContact O-OD1 3.26Å; V34-N37 PolarHBondContact O-N 3.15Å; N37-G39 VanDerWaalsContact C-N 3.33Å; N37-G39 PolarHBondContact O-N 2.95Å; N37-I40 PolarHBondContact O-N 3.17Å; N37-Y41 WeakPolarHBondContact O-CB 3.32Å; N37-Y41 PolarHBondContact O-N 2.93Å; N37-H130 PolarHBondContact ND2-CE1 3.09Å; N37-H130 PolarHBondContact ND2-ND1 3.39Å; N37-L158 HydrophobicContact CB-CD2 3.63Å
38A97.5Very high96.3Very high0 Ų030.5 Ų30.50%015%0.145CC..Hα-helixtrans-58.4-43.9173.500000111.7V34 V35 I36 I40 Y41 Y42 A68 E72 V126V34-A38 WeakPolarHBondContact O-CB 3.45Å; V34-A38 PolarHBondContact O-N 3.49Å; V35-A38 PolarHBondContact O-N 3.37Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.11Å; A38-I40 VanDerWaalsContact C-N 3.33Å; A38-I40 PolarHBondContact O-N 3.21Å; A38-Y41 WeakPolarHBondContact O-CB 3.48Å; A38-Y41 PolarHBondContact O-N 3.49Å; A38-Y42 WeakPolarHBondContact O-CD2 3.32Å; A38-Y42 VanDerWaalsContact O-CG 3.22Å; A38-Y42 PolarHBondContact O-N 3.09Å; A38-A68 HydrophobicContact CB-CB 3.93Å; A38-E72 HydrophobicContact CB-CG 4.45Å; A38-V126 HydrophobicContact CB-CG2 4.43Å
39G98.5Very high96.4Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-61.1-40176.800000113.3V35 I36 N37 Y42 M43 A64V35-G39 PolarHBondContact O-N 3.33Å; I36-G39 PolarHBondContact O-N 3.26Å; N37-G39 VanDerWaalsContact C-N 3.33Å; N37-G39 PolarHBondContact O-N 2.95Å; G39-Y42 PolarHBondContact O-N 3.12Å; G39-M43 WeakPolarHBondContact O-CB 3.44Å; G39-M43 PolarHBondContact O-N 3Å; G39-A64 WeakPolarHBondContact O-CB 3.37Å
40I98.7Very high96.5Very high0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-72.6-36.8179-65.1170.6000110.8A19 I22 Q23 I36 N37 A38 M43 H44 L158 H159A19-I40 HydrophobicContact CB-CD1 4.29Å; A19-I40 HydrophobicContact CB-CG1 4.34Å; A19-I40 HydrophobicContact CB-CG2 3.8Å; A19-I40 WeakPolarHBondContact O-CD1 3.45Å; I22-I40 HydrophobicContact CB-CD1 4.19Å; I22-I40 HydrophobicContact CB-CG1 3.71Å; I22-I40 HydrophobicContact CD1-CG1 3.9Å; I22-I40 HydrophobicContact CG1-CG1 4.41Å; I22-I40 HydrophobicContact CG2-CD1 4.14Å; I22-I40 HydrophobicContact CG2-CG1 3.6Å; Q23-I40 HydrophobicContact CB-CD1 4.49Å; I36-I40 HydrophobicContact CG2-CD1 3.83Å; I36-I40 WeakPolarHBondContact O-CG1 3.21Å; I36-I40 PolarHBondContact O-N 3Å; N37-I40 PolarHBondContact O-N 3.17Å; A38-I40 VanDerWaalsContact C-N 3.33Å; A38-I40 PolarHBondContact O-N 3.21Å; I40-M43 HydrophobicContact CG2-CE 3.94Å; I40-M43 WeakPolarHBondContact O-CB 3.46Å; I40-M43 PolarHBondContact O-N 3.32Å; I40-H44 PolarHBondContact O-CD2 3.09Å; I40-H44 VanDerWaalsContact O-CD2 3.27Å; I40-H44 PolarHBondContact O-N 2.99Å; I40-L158 HydrophobicContact CB-CG 4.43Å; I40-L158 HydrophobicContact CG2-CD1 4.08Å; I40-L158 HydrophobicContact CG2-CG 3.91Å; I40-H159 WeakPolarHBondContact CD1-CE1 3.5Å; I40-H159 VanDerWaalsContact CD1-ND1 3.28Å; I40-H159 WeakPolarHBondContact CD1-ND1 3.35Å
41Y98Very high96.5Very high39 Ų3926.4 Ų26.415%0.15314%0.139CC..Hα-helixtrans-59.7-50.2171.7-169-101.6000111.4N37 A38 M43 H44 Y45 T123 V126 V164N37-Y41 WeakPolarHBondContact O-CB 3.32Å; N37-Y41 PolarHBondContact O-N 2.93Å; A38-Y41 WeakPolarHBondContact O-CB 3.48Å; A38-Y41 PolarHBondContact O-N 3.49Å; Y41-M43 VanDerWaalsContact C-N 3.3Å; Y41-M43 PolarHBondContact O-N 3.01Å; Y41-H44 PolarHBondContact O-N 3.11Å; Y41-H44 VanDerWaalsContact O-N 3.08Å; Y41-Y45 HydrophobicContact CD1-CD2 4.04Å; Y41-Y45 HydrophobicContact CD1-CE2 4.04Å; Y41-Y45 HydrophobicContact CD2-CE2 4.25Å; Y41-Y45 AromaticContact CE1-CD2 3.84Å; Y41-Y45 HydrophobicContact CE1-CD2 3.84Å; Y41-Y45 AromaticContact CE1-CE2 3.43Å; Y41-Y45 HydrophobicContact CE1-CE2 3.43Å; Y41-Y45 VanDerWaalsContact CE1-CE2 3.43Å; Y41-Y45 HydrophobicContact CE2-CD2 4.41Å; Y41-Y45 AromaticContact CE2-CE2 3.64Å; Y41-Y45 HydrophobicContact CE2-CE2 3.64Å; Y41-Y45 HydrophobicContact CG-CD2 4.44Å; Y41-Y45 HydrophobicContact CG-CE2 4.42Å; Y41-Y45 AromaticContact CZ-CE2 3.19Å; Y41-Y45 AromaticContact CZ-CZ 3.89Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.49Å; Y41-Y45 PolarHBondContact O-N 3.46Å; Y41-Y45 VanDerWaalsContact O-N 3.15Å; Y41-Y45 WeakPolarHBondContact OH-CE2 3.45Å; Y41-Y45 PolarHBondContact OH-OH 2.91Å; Y41-Y45 VanDerWaalsContact OH-OH 3.06Å; Y41-T123 HydrophobicContact CE1-CG2 3.6Å; Y41-V126 HydrophobicContact CD1-CB 4.21Å; Y41-V126 HydrophobicContact CD1-CG1 3.66Å; Y41-V126 HydrophobicContact CD1-CG2 3.48Å; Y41-V126 VanDerWaalsContact CD1-CG2 3.48Å; Y41-V126 HydrophobicContact CD2-CG1 4.19Å; Y41-V126 HydrophobicContact CE1-CB 4.41Å; Y41-V126 HydrophobicContact CE1-CG1 3.9Å; Y41-V126 HydrophobicContact CE1-CG2 3.88Å; Y41-V126 HydrophobicContact CE2-CG1 4.44Å; Y41-V126 HydrophobicContact CG-CG1 3.79Å; Y41-V126 HydrophobicContact CG-CG2 4.27Å; Y41-V164 HydrophobicContact CD2-CB 4.13Å; Y41-V164 HydrophobicContact CD2-CG2 4.13Å; Y41-V164 HydrophobicContact CE2-CB 4.04Å; Y41-V164 HydrophobicContact CE2-CG2 4.37Å
42Y98.4Very high96.4Very high0 Ų026.1 Ų26.10%014%0.137CC..Hα-helixtrans-60.2-38.1176-60.8-21000112.7A38 G39 H44 Y45 F46 C67 A68 T71 I119 L124 V126A38-Y42 WeakPolarHBondContact O-CD2 3.32Å; A38-Y42 VanDerWaalsContact O-CG 3.22Å; A38-Y42 PolarHBondContact O-N 3.09Å; G39-Y42 PolarHBondContact O-N 3.12Å; Y42-H44 VanDerWaalsContact C-N 3.34Å; Y42-H44 PolarHBondContact O-N 3.39Å; Y42-Y45 PolarHBondContact O-N 2.99Å; Y42-F46 VanDerWaalsContact O-CB 3.29Å; Y42-F46 WeakPolarHBondContact O-CB 3.36Å; Y42-F46 PolarHBondContact O-N 3.4Å; Y42-C67 HydrophobicContact CD2-CB 4.02Å; Y42-C67 HydrophobicContact CE2-CB 4.21Å; Y42-A68 HydrophobicContact CD2-CB 4.16Å; Y42-A68 HydrophobicContact CE2-CB 3.97Å; Y42-T71 HydrophobicContact CE2-CG2 4.44Å; Y42-T71 PolarHBondContact OH-OG1 3.39Å; Y42-T71 VanDerWaalsContact OH-OG1 3.12Å; Y42-I119 HydrophobicContact CD1-CD1 3.62Å; Y42-I119 HydrophobicContact CD1-CG2 4.25Å; Y42-I119 HydrophobicContact CD2-CD1 4.41Å; Y42-I119 HydrophobicContact CE1-CD1 3.67Å; Y42-I119 HydrophobicContact CE2-CD1 4.44Å; Y42-I119 HydrophobicContact CG-CD1 4.02Å; Y42-L124 PolarHBondContact OH-O 3.38Å; Y42-V126 HydrophobicContact CD1-CG2 4.23Å; Y42-V126 HydrophobicContact CE1-CG2 3.39Å
43M98.3Very high96.2Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-60.5-42.9173.7174.4-80.2-64.300111.9R15 C18 A19 I22 G39 I40 Y41 F46 Y47 V60 A64R15-M43 HydrophobicContact CB-SD 4.2Å; R15-M43 HydrophobicContact CG-SD 4.22Å; R15-M43 WeakPolarHBondContact O-CE 3.3Å; C18-M43 HydrophobicContact CB-CE 4.38Å; C18-M43 HydrophobicContact CB-CG 4.04Å; C18-M43 HydrophobicContact CB-SD 4.11Å; C18-M43 VanDerWaalsContact SG-CG 3.52Å; A19-M43 HydrophobicContact CB-CE 3.8Å; I22-M43 HydrophobicContact CD1-CB 3.81Å; I22-M43 HydrophobicContact CD1-CG 4.17Å; G39-M43 WeakPolarHBondContact O-CB 3.44Å; G39-M43 PolarHBondContact O-N 3Å; I40-M43 HydrophobicContact CG2-CE 3.94Å; I40-M43 WeakPolarHBondContact O-CB 3.46Å; I40-M43 PolarHBondContact O-N 3.32Å; Y41-M43 VanDerWaalsContact C-N 3.3Å; Y41-M43 PolarHBondContact O-N 3.01Å; M43-F46 PolarHBondContact O-N 3.13Å; M43-Y47 HydrophobicContact CG-CD2 3.85Å; M43-Y47 HydrophobicContact CG-CE2 3.9Å; M43-Y47 PolarHBondContact O-N 3.23Å; M43-Y47 HydrophobicContact SD-CD2 3.46Å; M43-Y47 WeakPolarHBondContact SD-CD2 3.29Å; M43-Y47 HydrophobicContact SD-CE2 3.89Å; M43-V60 HydrophobicContact CB-CG1 4.27Å; M43-V60 HydrophobicContact CG-CG1 3.93Å; M43-A64 HydrophobicContact CB-CB 4.23Å
44H98Very high96Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-64.1-42.8179.2-79.1-49000113.1R15 I40 Y41 Y42 Y47 E48 L158 T161 V164 L165R15-H44 PolarHBondContact NH1-ND1 3.46Å; R15-H44 PolarHBondContact NH1-O 3.24Å; R15-H44 PolarHBondContact NH2-O 3.28Å; I40-H44 PolarHBondContact O-CD2 3.09Å; I40-H44 VanDerWaalsContact O-CD2 3.27Å; I40-H44 PolarHBondContact O-N 2.99Å; Y41-H44 PolarHBondContact O-N 3.11Å; Y41-H44 VanDerWaalsContact O-N 3.08Å; Y42-H44 VanDerWaalsContact C-N 3.34Å; Y42-H44 PolarHBondContact O-N 3.39Å; H44-Y47 PolarHBondContact O-N 3Å; H44-E48 PolarHBondContact O-N 3.14Å; H44-L158 PolarHBondContact CD2-O 3.04Å; H44-L158 PolarHBondContact NE2-O 3.18Å; H44-T161 PolarHBondContact CE1-O 3.46Å; H44-T161 VanDerWaalsContact CE1-O 3.25Å; H44-T161 PolarHBondContact NE2-O 2.96Å; H44-V164 HydrophobicContact CB-CG2 4.28Å; H44-L165 HydrophobicContact CB-CD2 3.95Å; H44-L165 HydrophobicContact CB-CG 4.35Å
45Y97.2Very high96Very high41 Ų4130.1 Ų30.116%0.16116%0.155CC..Hα-helixtrans-67.3-43.1176-87.5-92.9000111.5Y41 Y42 Y47 E48 I119 T123 L165Y41-Y45 HydrophobicContact CD1-CD2 4.04Å; Y41-Y45 HydrophobicContact CD1-CE2 4.04Å; Y41-Y45 HydrophobicContact CD2-CE2 4.25Å; Y41-Y45 AromaticContact CE1-CD2 3.84Å; Y41-Y45 HydrophobicContact CE1-CD2 3.84Å; Y41-Y45 AromaticContact CE1-CE2 3.43Å; Y41-Y45 HydrophobicContact CE1-CE2 3.43Å; Y41-Y45 VanDerWaalsContact CE1-CE2 3.43Å; Y41-Y45 HydrophobicContact CE2-CD2 4.41Å; Y41-Y45 AromaticContact CE2-CE2 3.64Å; Y41-Y45 HydrophobicContact CE2-CE2 3.64Å; Y41-Y45 HydrophobicContact CG-CD2 4.44Å; Y41-Y45 HydrophobicContact CG-CE2 4.42Å; Y41-Y45 AromaticContact CZ-CE2 3.19Å; Y41-Y45 AromaticContact CZ-CZ 3.89Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.49Å; Y41-Y45 PolarHBondContact O-N 3.46Å; Y41-Y45 VanDerWaalsContact O-N 3.15Å; Y41-Y45 WeakPolarHBondContact OH-CE2 3.45Å; Y41-Y45 PolarHBondContact OH-OH 2.91Å; Y41-Y45 VanDerWaalsContact OH-OH 3.06Å; Y42-Y45 PolarHBondContact O-N 2.99Å; Y45-Y47 VanDerWaalsContact C-N 3.28Å; Y45-Y47 PolarHBondContact O-N 3.11Å; Y45-E48 WeakPolarHBondContact O-CB 3.42Å; Y45-E48 PolarHBondContact O-N 3.29Å; Y45-I119 HydrophobicContact CG-CG2 4.39Å; Y45-T123 HydrophobicContact CD1-CG2 4.03Å; Y45-T123 HydrophobicContact CD2-CG2 4.14Å; Y45-T123 HydrophobicContact CE1-CG2 3.78Å; Y45-T123 HydrophobicContact CE2-CG2 3.94Å; Y45-T123 HydrophobicContact CG-CG2 4.19Å; Y45-L165 HydrophobicContact CD1-CD2 4.13Å; Y45-L165 HydrophobicContact CD2-CD2 3.44Å; Y45-L165 VanDerWaalsContact CD2-CD2 3.44Å; Y45-L165 HydrophobicContact CE1-CD2 4.21Å; Y45-L165 HydrophobicContact CE2-CD2 3.49Å; Y45-L165 VanDerWaalsContact CE2-CD2 3.49Å; Y45-L165 HydrophobicContact CG-CD2 3.77Å
46F97.7Very high95.9Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-56.5-46176.1-178.9-98.5000111.6Y42 M43 E48 V49 F50 I55 V60 L111 T114 I115 V118Y42-F46 VanDerWaalsContact O-CB 3.29Å; Y42-F46 WeakPolarHBondContact O-CB 3.36Å; Y42-F46 PolarHBondContact O-N 3.4Å; M43-F46 PolarHBondContact O-N 3.13Å; F46-E48 PolarHBondContact O-N 3.42Å; F46-V49 PolarHBondContact O-N 2.97Å; F46-F50 HydrophobicContact CD1-CB 4.38Å; F46-F50 HydrophobicContact CD1-CD2 4.47Å; F46-F50 AromaticContact CD2-CD2 3.82Å; F46-F50 HydrophobicContact CD2-CD2 3.82Å; F46-F50 HydrophobicContact CD2-CE2 4.29Å; F46-F50 HydrophobicContact CE1-CB 3.86Å; F46-F50 HydrophobicContact CE1-CD2 4.11Å; F46-F50 HydrophobicContact CE1-CG 4.24Å; F46-F50 AromaticContact CE2-CD2 3.43Å; F46-F50 HydrophobicContact CE2-CD2 3.43Å; F46-F50 VanDerWaalsContact CE2-CD2 3.43Å; F46-F50 AromaticContact CE2-CE2 3.81Å; F46-F50 HydrophobicContact CE2-CE2 3.81Å; F46-F50 HydrophobicContact CE2-CG 4.22Å; F46-F50 HydrophobicContact CG-CD2 4.36Å; F46-F50 HydrophobicContact CZ-CB 4.05Å; F46-F50 AromaticContact CZ-CD2 3.6Å; F46-F50 HydrophobicContact CZ-CD2 3.6Å; F46-F50 HydrophobicContact CZ-CE2 4.3Å; F46-F50 AromaticContact CZ-CG 3.92Å; F46-F50 HydrophobicContact CZ-CG 3.92Å; F46-F50 PolarHBondContact O-N 3.49Å; F46-I55 HydrophobicContact CE1-CB 4.15Å; F46-I55 HydrophobicContact CE1-CD1 3.92Å; F46-I55 HydrophobicContact CE1-CG2 4.05Å; F46-I55 HydrophobicContact CZ-CB 4.49Å; F46-I55 HydrophobicContact CZ-CD1 3.49Å; F46-I55 VanDerWaalsContact CZ-CD1 3.49Å; F46-I55 HydrophobicContact CZ-CG2 4.24Å; F46-V60 HydrophobicContact CD1-CB 4.45Å; F46-V60 HydrophobicContact CD1-CG1 3.73Å; F46-V60 HydrophobicContact CD1-CG2 3.81Å; F46-V60 HydrophobicContact CE1-CG1 4.28Å; F46-V60 HydrophobicContact CE1-CG2 3.5Å; F46-V60 HydrophobicContact CG-CG1 4.35Å; F46-V60 HydrophobicContact CZ-CG2 4.41Å; F46-L111 HydrophobicContact CE2-CD2 4.31Å; F46-L111 HydrophobicContact CZ-CD2 3.76Å; F46-T114 HydrophobicContact CE2-CG2 3.87Å; F46-I115 HydrophobicContact CB-CG1 4.22Å; F46-I115 HydrophobicContact CD2-CB 4.37Å; F46-I115 HydrophobicContact CD2-CD1 4.43Å; F46-I115 HydrophobicContact CD2-CG1 3.38Å; F46-I115 HydrophobicContact CE2-CG1 3.86Å; F46-I115 HydrophobicContact CG-CG1 3.92Å; F46-V118 HydrophobicContact CD2-CG2 4.49Å
47Y97.7Very high95.8Very high9 Ų938 Ų384%0.03519%0.192CC..Hα-helixtrans-75.7-5.6179.9-75.5-38.7000114.7R15 C18 M43 H44 Y45 V49 F50 P52 I55 P57 V60R15-Y47 HydrophobicContact CG-CD2 3.87Å; R15-Y47 HydrophobicContact CG-CG 4.45Å; R15-Y47 VanDerWaalsContact CZ-CB 3.48Å; R15-Y47 PolarHBondContact NH2-O 3.03Å; C18-Y47 HydrophobicContact CB-CE2 4.23Å; M43-Y47 HydrophobicContact CG-CD2 3.85Å; M43-Y47 HydrophobicContact CG-CE2 3.9Å; M43-Y47 PolarHBondContact O-N 3.23Å; M43-Y47 HydrophobicContact SD-CD2 3.46Å; M43-Y47 WeakPolarHBondContact SD-CD2 3.29Å; M43-Y47 HydrophobicContact SD-CE2 3.89Å; H44-Y47 PolarHBondContact O-N 3Å; Y45-Y47 VanDerWaalsContact C-N 3.28Å; Y45-Y47 PolarHBondContact O-N 3.11Å; Y47-V49 VanDerWaalsContact C-N 3.26Å; Y47-F50 CarbonylContact C-O 3.57Å; Y47-F50 WeakPolarHBondContact CA-O 3.27Å; Y47-F50 VanDerWaalsContact CD1-O 3.24Å; Y47-F50 WeakPolarHBondContact CD1-O 3.18Å; Y47-F50 VanDerWaalsContact O-O 3.12Å; Y47-P52 HydrophobicContact CD1-CB 4.34Å; Y47-P52 HydrophobicContact CD1-CG 3.86Å; Y47-P52 HydrophobicContact CD2-CG 4.05Å; Y47-P52 VanDerWaalsContact CE1-CA 3.47Å; Y47-P52 HydrophobicContact CE1-CB 3.97Å; Y47-P52 HydrophobicContact CE1-CG 4Å; Y47-P52 HydrophobicContact CE2-CB 4.29Å; Y47-P52 HydrophobicContact CE2-CG 4.19Å; Y47-P52 HydrophobicContact CG-CG 3.88Å; Y47-I55 WeakPolarHBondContact CE1-O 3.34Å; Y47-I55 PolarHBondContact OH-O 3.13Å; Y47-P57 WeakPolarHBondContact OH-CA 3.23Å; Y47-V60 HydrophobicContact CE1-CB 4.4Å; Y47-V60 HydrophobicContact CE1-CG1 4.44Å; Y47-V60 HydrophobicContact CE1-CG2 3.72Å; Y47-V60 HydrophobicContact CE2-CB 4.27Å; Y47-V60 HydrophobicContact CE2-CG1 4.05Å; Y47-V60 HydrophobicContact CE2-CG2 4.45Å; Y47-V60 VanDerWaalsContact OH-CG2 3.29Å; Y47-V60 WeakPolarHBondContact OH-CG2 3.27Å
48E94.5Very high95.8Very high112 Ų11238.9 Ų38.952%0.52320%0.196SC..Hα-helixtrans-70.3-31.1169.5-169172.4-165.500110.6H44 Y45 F46 L165H44-E48 PolarHBondContact O-N 3.14Å; Y45-E48 WeakPolarHBondContact O-CB 3.42Å; Y45-E48 PolarHBondContact O-N 3.29Å; F46-E48 PolarHBondContact O-N 3.42Å; E48-L165 HydrophobicContact CB-CD1 4.2Å; E48-L165 HydrophobicContact CG-CD1 4.34Å
49V95.6Very high95.8Very high93 Ų9340.6 Ų40.656%0.56421%0.205SC*.Hα-helixtrans-97.3-39179.5-177.30000112F46 Y47 V118F46-V49 PolarHBondContact O-N 2.97Å; Y47-V49 VanDerWaalsContact C-N 3.26Å; V49-V118 HydrophobicContact CB-CG1 4.48Å; V49-V118 HydrophobicContact CB-CG2 4.34Å; V49-V118 HydrophobicContact CG2-CG1 3.76Å; V49-V118 HydrophobicContact CG2-CG2 4.23Å
50F95.4Very high95.8Very high62 Ų6240.6 Ų40.627%0.27221%0.205SC..SBendtrans-112.3138.2-176.2-61.1-79000111.4F46 Y47 I55 T114 V118F46-F50 HydrophobicContact CD1-CB 4.38Å; F46-F50 HydrophobicContact CD1-CD2 4.47Å; F46-F50 AromaticContact CD2-CD2 3.82Å; F46-F50 HydrophobicContact CD2-CD2 3.82Å; F46-F50 HydrophobicContact CD2-CE2 4.29Å; F46-F50 HydrophobicContact CE1-CB 3.86Å; F46-F50 HydrophobicContact CE1-CD2 4.11Å; F46-F50 HydrophobicContact CE1-CG 4.24Å; F46-F50 AromaticContact CE2-CD2 3.43Å; F46-F50 HydrophobicContact CE2-CD2 3.43Å; F46-F50 VanDerWaalsContact CE2-CD2 3.43Å; F46-F50 AromaticContact CE2-CE2 3.81Å; F46-F50 HydrophobicContact CE2-CE2 3.81Å; F46-F50 HydrophobicContact CE2-CG 4.22Å; F46-F50 HydrophobicContact CG-CD2 4.36Å; F46-F50 HydrophobicContact CZ-CB 4.05Å; F46-F50 AromaticContact CZ-CD2 3.6Å; F46-F50 HydrophobicContact CZ-CD2 3.6Å; F46-F50 HydrophobicContact CZ-CE2 4.3Å; F46-F50 AromaticContact CZ-CG 3.92Å; F46-F50 HydrophobicContact CZ-CG 3.92Å; F46-F50 PolarHBondContact O-N 3.49Å; Y47-F50 CarbonylContact C-O 3.57Å; Y47-F50 WeakPolarHBondContact CA-O 3.27Å; Y47-F50 VanDerWaalsContact CD1-O 3.24Å; Y47-F50 WeakPolarHBondContact CD1-O 3.18Å; Y47-F50 VanDerWaalsContact O-O 3.12Å; F50-I55 HydrophobicContact CB-CD1 3.95Å; F50-I55 HydrophobicContact CD1-CD1 3.9Å; F50-I55 HydrophobicContact CG-CD1 3.92Å; F50-T114 HydrophobicContact CD2-CG2 4.47Å; F50-T114 HydrophobicContact CE2-CG2 3.5Å; F50-T114 VanDerWaalsContact CE2-CG2 3.5Å; F50-T114 HydrophobicContact CZ-CG2 3.66Å; F50-V118 HydrophobicContact CD2-CG2 4.38Å; F50-V118 HydrophobicContact CE2-CG2 3.73Å
51S91.7Very high95.8Very high33 Ų3340.6 Ų40.623%0.23121%0.205CC..  trans-73140.8176.3172.80000111.5H11 E53 T54 I55H11-S51 PolarHBondContact NE2-OG 3.38Å; S51-E53 PolarHBondContact O-N 2.87Å; S51-E53 VanDerWaalsContact O-N 3.16Å; S51-E53 PolarHBondContact OG-N 3.18Å; S51-E53 VanDerWaalsContact OG-N 3.1Å; S51-T54 PolarHBondContact O-N 3.41Å; S51-T54 PolarHBondContact O-OG1 3.17Å; S51-I55 PolarHBondContact O-N 3.03Å; S51-I55 VanDerWaalsContact O-N 3.1Å
52P90.4Very high95.8Very high5 Ų538.7 Ų38.73%0.03220%0.198CC..THydrogen-bonded Turntrans-58.9-20.2168.7-21.631.9000114.6R14 R15 Y47R14-P52 HydrophobicContact CB-CB 3.42Å; R14-P52 VanDerWaalsContact CB-CB 3.42Å; R14-P52 HydrophobicContact CB-CG 4.04Å; R14-P52 HydrophobicContact CG-CB 4.03Å; R15-P52 HydrophobicContact CG-CG 4.34Å; Y47-P52 HydrophobicContact CD1-CB 4.34Å; Y47-P52 HydrophobicContact CD1-CG 3.86Å; Y47-P52 HydrophobicContact CD2-CG 4.05Å; Y47-P52 VanDerWaalsContact CE1-CA 3.47Å; Y47-P52 HydrophobicContact CE1-CB 3.97Å; Y47-P52 HydrophobicContact CE1-CG 4Å; Y47-P52 HydrophobicContact CE2-CB 4.29Å; Y47-P52 HydrophobicContact CE2-CG 4.19Å; Y47-P52 HydrophobicContact CG-CG 3.88Å
53E90.1Very high95.8Very high96 Ų9638.7 Ų38.745%0.44920%0.198SC..THydrogen-bonded Turntrans-78.1-27.6175.5-64.2-62.7130.900111.9R14 S51R14-E53 IonicContact NE-OE1 3.79Å; R14-E53 PolarHBondContact NE-OE1 3.42Å; S51-E53 PolarHBondContact O-N 2.87Å; S51-E53 VanDerWaalsContact O-N 3.16Å; S51-E53 PolarHBondContact OG-N 3.18Å; S51-E53 VanDerWaalsContact OG-N 3.1Å
54T91.6Very high95.8Very high104 Ų10438.7 Ų38.764%0.63820%0.198SC*.THydrogen-bonded Turntrans-85.2-40.6176.260.20000111.8S51S51-T54 PolarHBondContact O-N 3.41Å; S51-T54 PolarHBondContact O-OG1 3.17Å
55I94.7Very high95.8Very high35 Ų3538.7 Ų38.718%0.17920%0.198CC..SBendtrans-120.4106.8-178.7-53.3-179.4000109.7F46 Y47 F50 S51 V60 L111F46-I55 HydrophobicContact CE1-CB 4.15Å; F46-I55 HydrophobicContact CE1-CD1 3.92Å; F46-I55 HydrophobicContact CE1-CG2 4.05Å; F46-I55 HydrophobicContact CZ-CB 4.49Å; F46-I55 HydrophobicContact CZ-CD1 3.49Å; F46-I55 VanDerWaalsContact CZ-CD1 3.49Å; F46-I55 HydrophobicContact CZ-CG2 4.24Å; Y47-I55 WeakPolarHBondContact CE1-O 3.34Å; Y47-I55 PolarHBondContact OH-O 3.13Å; F50-I55 HydrophobicContact CB-CD1 3.95Å; F50-I55 HydrophobicContact CD1-CD1 3.9Å; F50-I55 HydrophobicContact CG-CD1 3.92Å; S51-I55 PolarHBondContact O-N 3.03Å; S51-I55 VanDerWaalsContact O-N 3.1Å; I55-V60 HydrophobicContact CB-CG2 4.3Å; I55-V60 HydrophobicContact CG2-CG2 3.56Å; I55-L111 HydrophobicContact CD1-CD2 4.17Å; I55-L111 HydrophobicContact CG2-CD1 4.21Å; I55-L111 HydrophobicContact CG2-CD2 3.79Å
56K94.4Very high95.9Very high143 Ų14338.2 Ų38.262%0.62220%0.196SC*.  trans-55.2136.8-170.3-64.3-170.2174.481.30112.5I58 L59 V60K56-I58 VanDerWaalsContact C-N 3.29Å; K56-I58 HydrophobicContact CB-CG2 4.3Å; K56-I58 PolarHBondContact O-N 2.9Å; K56-I58 VanDerWaalsContact O-N 3.13Å; K56-L59 PolarHBondContact O-N 3.35Å; K56-V60 PolarHBondContact O-N 3.1Å
57P96Very high95.8Very high25 Ų2538.3 Ų38.316%0.16220%0.197CC..Hα-helixtrans-48.3-41178.5-33.737.7000115.9R14 C18 Y47 L59 V60 A61R14-P57 HydrophobicContact CB-CG 4.29Å; C18-P57 HydrophobicContact CB-CB 3.99Å; C18-P57 PolarHBondContact SG-O 3.17Å; Y47-P57 WeakPolarHBondContact OH-CA 3.23Å; P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 PolarHBondContact O-N 3.44Å; P57-V60 PolarHBondContact O-N 3.01Å; P57-A61 VanDerWaalsContact O-CB 3.25Å; P57-A61 WeakPolarHBondContact O-CB 3.46Å; P57-A61 PolarHBondContact O-N 3.42Å
58I96.4Very high95.8Very high20 Ų2037.9 Ų37.910%0.10320%0.195CC..Hα-helixtrans-59.3-41.1179.1-171.1-177.7000112.8L21 K56 I62 A85 Y86 L89L21-I58 HydrophobicContact CD2-CB 4.32Å; L21-I58 HydrophobicContact CD2-CG1 4.24Å; K56-I58 VanDerWaalsContact C-N 3.29Å; K56-I58 HydrophobicContact CB-CG2 4.3Å; K56-I58 PolarHBondContact O-N 2.9Å; K56-I58 VanDerWaalsContact O-N 3.13Å; I58-I62 HydrophobicContact CG1-CD1 4.06Å; I58-I62 WeakPolarHBondContact O-CD1 3.37Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 2.78Å; I58-I62 VanDerWaalsContact O-N 3.15Å; I58-A85 HydrophobicContact CG1-CB 4.47Å; I58-Y86 HydrophobicContact CD1-CD2 3.96Å; I58-Y86 HydrophobicContact CD1-CE2 3.63Å; I58-L89 HydrophobicContact CB-CD1 4.14Å; I58-L89 HydrophobicContact CD1-CD1 3.43Å; I58-L89 VanDerWaalsContact CD1-CD1 3.43Å; I58-L89 HydrophobicContact CG1-CD1 3.72Å
59L97.5Very high95.9Very high35 Ų3532.6 Ų32.618%0.18317%0.17CC..Hα-helixtrans-71.4-42.6-178.4-67.9178.1000110.8K56 P57 I62 A63 L104 L111K56-L59 PolarHBondContact O-N 3.35Å; P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 PolarHBondContact O-N 3.44Å; L59-I62 PolarHBondContact O-N 3.35Å; L59-A63 VanDerWaalsContact O-CB 3.31Å; L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 3.44Å; L59-L104 HydrophobicContact CD2-CD1 3.34Å; L59-L111 HydrophobicContact CB-CD1 3.63Å; L59-L111 HydrophobicContact CD1-CD1 4.45Å
60V98.6Very high95.9Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-65.9-41.4177-178.70000110.8M43 F46 Y47 I55 K56 P57 I62 A63 A64M43-V60 HydrophobicContact CB-CG1 4.27Å; M43-V60 HydrophobicContact CG-CG1 3.93Å; F46-V60 HydrophobicContact CD1-CB 4.45Å; F46-V60 HydrophobicContact CD1-CG1 3.73Å; F46-V60 HydrophobicContact CD1-CG2 3.81Å; F46-V60 HydrophobicContact CE1-CG1 4.28Å; F46-V60 HydrophobicContact CE1-CG2 3.5Å; F46-V60 HydrophobicContact CG-CG1 4.35Å; F46-V60 HydrophobicContact CZ-CG2 4.41Å; Y47-V60 HydrophobicContact CE1-CB 4.4Å; Y47-V60 HydrophobicContact CE1-CG1 4.44Å; Y47-V60 HydrophobicContact CE1-CG2 3.72Å; Y47-V60 HydrophobicContact CE2-CB 4.27Å; Y47-V60 HydrophobicContact CE2-CG1 4.05Å; Y47-V60 HydrophobicContact CE2-CG2 4.45Å; Y47-V60 VanDerWaalsContact OH-CG2 3.29Å; Y47-V60 WeakPolarHBondContact OH-CG2 3.27Å; I55-V60 HydrophobicContact CB-CG2 4.3Å; I55-V60 HydrophobicContact CG2-CG2 3.56Å; K56-V60 PolarHBondContact O-N 3.1Å; P57-V60 PolarHBondContact O-N 3.01Å; V60-I62 PolarHBondContact O-N 2.94Å; V60-A63 PolarHBondContact O-N 3.45Å; V60-A64 WeakPolarHBondContact O-CB 3.45Å; V60-A64 PolarHBondContact O-N 3.15Å
61A98.8Very high95.8Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-57.8-48.1176.400000111.8L21 I22 I25 P57 F65L21-A61 HydrophobicContact CB-CB 4.29Å; L21-A61 HydrophobicContact CD2-CB 3.68Å; L21-A61 HydrophobicContact CG-CB 3.93Å; I22-A61 HydrophobicContact CD1-CB 4.39Å; I22-A61 HydrophobicContact CG1-CB 3.68Å; I25-A61 HydrophobicContact CD1-CB 4.46Å; P57-A61 VanDerWaalsContact O-CB 3.25Å; P57-A61 WeakPolarHBondContact O-CB 3.46Å; P57-A61 PolarHBondContact O-N 3.42Å; A61-F65 WeakPolarHBondContact O-CB 3.1Å; A61-F65 PolarHBondContact O-N 3.35Å; A61-F65 VanDerWaalsContact O-N 3.1Å
62I98.7Very high95.8Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-64.6-48.7178.3-65.4163.9000110.5I25 I58 L59 V60 Y66 L78 L81 I82 A85 V108I25-I62 HydrophobicContact CD1-CG1 4.49Å; I58-I62 HydrophobicContact CG1-CD1 4.06Å; I58-I62 WeakPolarHBondContact O-CD1 3.37Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 2.78Å; I58-I62 VanDerWaalsContact O-N 3.15Å; L59-I62 PolarHBondContact O-N 3.35Å; V60-I62 PolarHBondContact O-N 2.94Å; I62-Y66 WeakPolarHBondContact O-CB 3.12Å; I62-Y66 PolarHBondContact O-N 3.33Å; I62-L78 HydrophobicContact CG2-CD1 3.6Å; I62-L81 HydrophobicContact CG2-CB 4.28Å; I62-I82 HydrophobicContact CD1-CG1 4.29Å; I62-I82 HydrophobicContact CG2-CG1 4.13Å; I62-A85 HydrophobicContact CD1-CB 3.75Å; I62-A85 HydrophobicContact CG1-CB 3.7Å; I62-V108 HydrophobicContact CG2-CG1 4.17Å; I62-V108 HydrophobicContact CG2-CG2 3.98Å
63A98.6Very high95.8Very high0 Ų042.6 Ų42.60%021%0.209CC..Hα-helixtrans-67.4-48.5-17600000112.5L59 V60 F65 Y66 C67 V108 L111 I115L59-A63 VanDerWaalsContact O-CB 3.31Å; L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 3.44Å; V60-A63 PolarHBondContact O-N 3.45Å; A63-F65 VanDerWaalsContact C-N 3.34Å; A63-F65 PolarHBondContact O-N 3.01Å; A63-Y66 WeakPolarHBondContact O-CB 3.31Å; A63-Y66 PolarHBondContact O-N 3.12Å; A63-C67 PolarHBondContact O-N 2.91Å; A63-C67 PolarHBondContact O-SG 3.1Å; A63-V108 HydrophobicContact CB-CG1 4.05Å; A63-L111 HydrophobicContact CB-CB 3.75Å; A63-I115 HydrophobicContact CB-CD1 3.69Å
64A98.6Very high95.8Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-63.1-41179.100000111.5G39 M43 V60 C67 A68 I115G39-A64 WeakPolarHBondContact O-CB 3.37Å; M43-A64 HydrophobicContact CB-CB 4.23Å; V60-A64 WeakPolarHBondContact O-CB 3.45Å; V60-A64 PolarHBondContact O-N 3.15Å; A64-C67 PolarHBondContact O-N 2.81Å; A64-A68 PolarHBondContact O-N 3.35Å; A64-I115 HydrophobicContact CB-CD1 4.09Å
65F98.5Very high95.6Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-68.7-34.7175.1-170.6-112.1000112.6I22 I25 L29 T31 V35 I36 A61 A63 A68 C69 L81I22-F65 HydrophobicContact CG2-CB 4.16Å; I22-F65 HydrophobicContact CG2-CD2 3.67Å; I22-F65 HydrophobicContact CG2-CE2 4.49Å; I22-F65 HydrophobicContact CG2-CG 4.21Å; I25-F65 HydrophobicContact CG2-CD1 3.65Å; I25-F65 HydrophobicContact CG2-CE1 3.78Å; I25-F65 HydrophobicContact CG2-CG 4.5Å; L29-F65 HydrophobicContact CD1-CE1 4.09Å; T31-F65 HydrophobicContact CG2-CE1 4.2Å; T31-F65 HydrophobicContact CG2-CZ 3.57Å; V35-F65 HydrophobicContact CG1-CE2 3.85Å; V35-F65 HydrophobicContact CG1-CZ 4.22Å; I36-F65 HydrophobicContact CG1-CE2 3.94Å; A61-F65 WeakPolarHBondContact O-CB 3.1Å; A61-F65 PolarHBondContact O-N 3.35Å; A61-F65 VanDerWaalsContact O-N 3.1Å; A63-F65 VanDerWaalsContact C-N 3.34Å; A63-F65 PolarHBondContact O-N 3.01Å; F65-A68 PolarHBondContact O-N 3.34Å; F65-C69 VanDerWaalsContact CE1-SG 3.51Å; F65-C69 WeakPolarHBondContact O-CB 3.43Å; F65-C69 PolarHBondContact O-N 2.78Å; F65-C69 PolarHBondContact O-SG 3.25Å; F65-L81 HydrophobicContact CD1-CD2 3.8Å; F65-L81 HydrophobicContact CD1-CG 4.05Å; F65-L81 HydrophobicContact CE1-CD2 4.47Å; F65-L81 HydrophobicContact CE1-CG 4.42Å
66Y98.3Very high95.3Very high31 Ų3142.4 Ų42.412%0.12221%0.207CC..Hα-helixtrans-64.9-42.5173.8-175.2-126.4000112I62 A63 C69 K70 L78 L81 E112I62-Y66 WeakPolarHBondContact O-CB 3.12Å; I62-Y66 PolarHBondContact O-N 3.33Å; A63-Y66 WeakPolarHBondContact O-CB 3.31Å; A63-Y66 PolarHBondContact O-N 3.12Å; Y66-C69 WeakPolarHBondContact O-CB 3.47Å; Y66-C69 PolarHBondContact O-N 2.95Å; Y66-K70 VanDerWaalsContact CE1-CE 3.4Å; Y66-K70 VanDerWaalsContact CE1-NZ 3.28Å; Y66-K70 PolarHBondContact O-N 2.94Å; Y66-K70 VanDerWaalsContact O-N 3.15Å; Y66-K70 WeakPolarHBondContact OH-CE 3.35Å; Y66-K70 PolarHBondContact OH-NZ 3.28Å; Y66-L78 HydrophobicContact CD2-CD1 4.44Å; Y66-L78 HydrophobicContact CE2-CB 4.12Å; Y66-L78 HydrophobicContact CG-CD1 4.27Å; Y66-L81 HydrophobicContact CD2-CD2 3.92Å; Y66-L81 HydrophobicContact CG-CD2 4.26Å; Y66-E112 WeakPolarHBondContact CE1-OE2 3.23Å
67C96.6Very high95.3Very high2 Ų242.7 Ų42.71%0.01421%0.208CC..Hα-helixtrans-57.5-49.3171.1-64.80000110.9Y42 A63 A64 C69 K70 T71Y42-C67 HydrophobicContact CD2-CB 4.02Å; Y42-C67 HydrophobicContact CE2-CB 4.21Å; A63-C67 PolarHBondContact O-N 2.91Å; A63-C67 PolarHBondContact O-SG 3.1Å; A64-C67 PolarHBondContact O-N 2.81Å; C67-C69 VanDerWaalsContact C-N 3.32Å; C67-C69 PolarHBondContact O-N 2.92Å; C67-K70 WeakPolarHBondContact O-CB 3.41Å; C67-K70 PolarHBondContact O-N 3.44Å; C67-T71 WeakPolarHBondContact O-CG2 3.48Å; C67-T71 PolarHBondContact O-N 3.43Å; C67-T71 PolarHBondContact O-OG1 2.92Å
68A97Very high95.3Very high0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-61.2-38.2178.700000113.3V35 A38 Y42 A64 F65 K70 T71 E72V35-A68 HydrophobicContact CG1-CB 4.13Å; V35-A68 WeakPolarHBondContact O-CB 3.35Å; A38-A68 HydrophobicContact CB-CB 3.93Å; Y42-A68 HydrophobicContact CD2-CB 4.16Å; Y42-A68 HydrophobicContact CE2-CB 3.97Å; A64-A68 PolarHBondContact O-N 3.35Å; F65-A68 PolarHBondContact O-N 3.34Å; A68-K70 VanDerWaalsContact C-N 3.26Å; A68-K70 PolarHBondContact O-N 3.47Å; A68-T71 WeakPolarHBondContact CA-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.13Å; A68-T71 PolarHBondContact O-OG1 3.35Å; A68-E72 WeakPolarHBondContact O-CB 3.4Å; A68-E72 WeakPolarHBondContact O-CG 3.49Å; A68-E72 PolarHBondContact O-N 2.96Å
69C97Very high95.3Very high1 Ų141.9 Ų41.91%0.00720%0.204CC..Hα-helixtrans-60.3-37.9173.5-74.50000111.7F65 Y66 C67 F74F65-C69 VanDerWaalsContact CE1-SG 3.51Å; F65-C69 WeakPolarHBondContact O-CB 3.43Å; F65-C69 PolarHBondContact O-N 2.78Å; F65-C69 PolarHBondContact O-SG 3.25Å; Y66-C69 WeakPolarHBondContact O-CB 3.47Å; Y66-C69 PolarHBondContact O-N 2.95Å; C67-C69 VanDerWaalsContact C-N 3.32Å; C67-C69 PolarHBondContact O-N 2.92Å; C69-F74 CarbonylContact C-O 3.13Å; C69-F74 HydrophobicContact CB-CD1 4.46Å; C69-F74 VanDerWaalsContact CB-O 3.26Å; C69-F74 WeakPolarHBondContact CB-O 3.13Å; C69-F74 CarbonylContact O-C 3.52Å; C69-F74 VanDerWaalsContact O-CA 3.27Å; C69-F74 WeakPolarHBondContact O-CA 3.48Å; C69-F74 PolarHBondContact O-N 3.03Å; C69-F74 VanDerWaalsContact O-O 3.1Å
70K94.9Very high95.2Very high95 Ų9545.1 Ų45.141%0.41322%0.217SC..Hα-helixtrans-74-42.6177.5-69.6179.8179.5177.80112.5Y66 C67 A68 E72 E73 E112Y66-K70 VanDerWaalsContact CE1-CE 3.4Å; Y66-K70 VanDerWaalsContact CE1-NZ 3.28Å; Y66-K70 PolarHBondContact O-N 2.94Å; Y66-K70 VanDerWaalsContact O-N 3.15Å; Y66-K70 WeakPolarHBondContact OH-CE 3.35Å; Y66-K70 PolarHBondContact OH-NZ 3.28Å; C67-K70 WeakPolarHBondContact O-CB 3.41Å; C67-K70 PolarHBondContact O-N 3.44Å; A68-K70 VanDerWaalsContact C-N 3.26Å; A68-K70 PolarHBondContact O-N 3.47Å; K70-E72 VanDerWaalsContact C-N 3.35Å; K70-E73 PolarHBondContact O-N 3.28Å; K70-E112 VanDerWaalsContact CD-OE1 3.32Å; K70-E112 WeakPolarHBondContact CD-OE1 3.39Å; K70-E112 WeakPolarHBondContact CE-OE1 3.4Å; K70-E112 VanDerWaalsContact NZ-CD 3.27Å; K70-E112 IonicContact NZ-OE1 2.64Å; K70-E112 PolarHBondContact NZ-OE1 3.32Å; K70-E112 IonicContact NZ-OE2 3.1Å; K70-E112 PolarHBondContact NZ-OE2 2.77Å; K70-E112 VanDerWaalsContact NZ-OE2 3.1Å
71T93.4Very high95.2Very high49 Ų4945.1 Ų45.130%0.30122%0.217SC..Hα-helixtrans-70.1-32.5-176.954.50000112.7Y42 C67 A68 E73 L124Y42-T71 HydrophobicContact CE2-CG2 4.44Å; Y42-T71 PolarHBondContact OH-OG1 3.39Å; Y42-T71 VanDerWaalsContact OH-OG1 3.12Å; C67-T71 WeakPolarHBondContact O-CG2 3.48Å; C67-T71 PolarHBondContact O-N 3.43Å; C67-T71 PolarHBondContact O-OG1 2.92Å; A68-T71 WeakPolarHBondContact CA-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.13Å; A68-T71 PolarHBondContact O-OG1 3.35Å; T71-E73 VanDerWaalsContact C-N 3.32Å; T71-E73 PolarHBondContact O-N 3.15Å; T71-L124 HydrophobicContact CG2-CD1 3.53Å; T71-L124 HydrophobicContact CG2-CD2 4.28Å; T71-L124 HydrophobicContact CG2-CG 3.86Å
72E92.6Very high95.1Very high70 Ų7045.2 Ų45.233%0.32722%0.217SC..THydrogen-bonded Turntrans-96.124.8178.7-60.6-69.1157.500112.7V34 V35 A38 A68 K70 F74V34-E72 HydrophobicContact CG1-CG 4.43Å; V34-E72 WeakPolarHBondContact CG1-OE2 3.4Å; V35-E72 HydrophobicContact CB-CB 4.41Å; V35-E72 HydrophobicContact CG2-CB 3.52Å; V35-E72 HydrophobicContact CG2-CG 4.05Å; A38-E72 HydrophobicContact CB-CG 4.45Å; A68-E72 WeakPolarHBondContact O-CB 3.4Å; A68-E72 WeakPolarHBondContact O-CG 3.49Å; A68-E72 PolarHBondContact O-N 2.96Å; K70-E72 VanDerWaalsContact C-N 3.35Å; E72-F74 PolarHBondContact O-N 3.41Å
73E90.9Very high95Very high188 Ų18851 Ų5188%0.87924%0.243SC*.THydrogen-bonded Turntrans53.924.4176.6-57.4-173.2166.200115.2K70 T71K70-E73 PolarHBondContact O-N 3.28Å; T71-E73 VanDerWaalsContact C-N 3.32Å; T71-E73 PolarHBondContact O-N 3.15Å
74F88.7Confident94.9Very high35 Ų3551.4 Ų51.415%0.15425%0.246CC..  trans-102.871.3179.2-171-96.3000111.2T31 V35 C69 E72 R76T31-F74 HydrophobicContact CG2-CD1 3.74Å; T31-F74 HydrophobicContact CG2-CE1 3.09Å; T31-F74 HydrophobicContact CG2-CE2 4.44Å; T31-F74 HydrophobicContact CG2-CZ 3.48Å; T31-F74 VanDerWaalsContact CG2-CZ 3.48Å; V35-F74 HydrophobicContact CG2-CB 4.18Å; C69-F74 CarbonylContact C-O 3.13Å; C69-F74 HydrophobicContact CB-CD1 4.46Å; C69-F74 VanDerWaalsContact CB-O 3.26Å; C69-F74 WeakPolarHBondContact CB-O 3.13Å; C69-F74 CarbonylContact O-C 3.52Å; C69-F74 VanDerWaalsContact O-CA 3.27Å; C69-F74 WeakPolarHBondContact O-CA 3.48Å; C69-F74 PolarHBondContact O-N 3.03Å; C69-F74 VanDerWaalsContact O-O 3.1Å; E72-F74 PolarHBondContact O-N 3.41Å; F74-R76 HydrophobicContact CD1-CG 3.82Å; F74-R76 HydrophobicContact CE1-CG 3.38Å; F74-R76 VanDerWaalsContact CE2-NH2 3.35Å; F74-R76 HydrophobicContact CZ-CG 4.25Å; F74-R76 PolarHBondContact O-N 3.1Å
75S87Confident94.9Very high102 Ų10251.4 Ų51.471%0.71325%0.246SC*.  trans-65.3128.5-177.2-170.70000112.7
76R89.2Confident94.8Very high95 Ų9553.4 Ų53.436%0.35825%0.254SS..  trans-140.1144.7173.9-72.7-64.1-177.5-87.96.5110.3F74 L78 L81F74-R76 HydrophobicContact CD1-CG 3.82Å; F74-R76 HydrophobicContact CE1-CG 3.38Å; F74-R76 VanDerWaalsContact CE2-NH2 3.35Å; F74-R76 HydrophobicContact CZ-CG 4.25Å; F74-R76 PolarHBondContact O-N 3.1Å; R76-L78 PolarHBondContact O-N 2.85Å; R76-L81 HydrophobicContact CB-CD1 3.7Å
77K93.7Very high94.7Very high148 Ų14855.2 Ų55.264%0.64327%0.266SS*.  trans-62.7131.6172.6-68.5-174.6177.3-177.50109.5S79 F80K77-S79 PolarHBondContact O-N 3.2Å; K77-S79 VanDerWaalsContact O-N 3.17Å; K77-F80 HydrophobicContact CB-CD2 4.21Å; K77-F80 HydrophobicContact CB-CG 4.46Å; K77-F80 WeakPolarHBondContact O-CB 3.5Å; K77-F80 PolarHBondContact O-N 3.16Å
78L96.3Very high94.7Very high13 Ų1356 Ų567%0.06827%0.269CS..Hα-helixtrans-56.1-33178.1175.158.6000112.6I62 Y66 R76 F80 L81 I82 V105 V108I62-L78 HydrophobicContact CG2-CD1 3.6Å; Y66-L78 HydrophobicContact CD2-CD1 4.44Å; Y66-L78 HydrophobicContact CE2-CB 4.12Å; Y66-L78 HydrophobicContact CG-CD1 4.27Å; R76-L78 PolarHBondContact O-N 2.85Å; L78-F80 PolarHBondContact O-N 3.06Å; L78-L81 HydrophobicContact CD1-CB 4.4Å; L78-L81 WeakPolarHBondContact O-CB 3.29Å; L78-L81 PolarHBondContact O-N 3.1Å; L78-I82 HydrophobicContact CD1-CD1 4.28Å; L78-I82 HydrophobicContact CD1-CG1 4.18Å; L78-I82 HydrophobicContact CD2-CD1 4.41Å; L78-I82 HydrophobicContact CG-CD1 3.89Å; L78-I82 HydrophobicContact CG-CG1 4.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 2.97Å; L78-V105 HydrophobicContact CD2-CB 4.35Å; L78-V105 HydrophobicContact CD2-CG1 4.04Å; L78-V105 HydrophobicContact CD2-CG2 4.17Å; L78-V108 HydrophobicContact CD1-CB 4.4Å; L78-V108 HydrophobicContact CD1-CG1 3.66Å; L78-V108 HydrophobicContact CD2-CB 3.94Å; L78-V108 HydrophobicContact CD2-CG1 3.78Å; L78-V108 HydrophobicContact CG-CG1 4.39Å
79S96.2Very high94.6Very high16 Ų1659 Ų5911%0.11229%0.285CS..Hα-helixtrans-58.6-35.517765.90000113.2K77 I82 K83 E96K77-S79 PolarHBondContact O-N 3.2Å; K77-S79 VanDerWaalsContact O-N 3.17Å; S79-I82 PolarHBondContact O-N 3.1Å; S79-K83 WeakPolarHBondContact O-CB 3.49Å; S79-K83 PolarHBondContact O-N 3.22Å; S79-E96 VanDerWaalsContact CB-OE1 3.23Å; S79-E96 WeakPolarHBondContact CB-OE1 3.44Å; S79-E96 PolarHBondContact OG-OE1 2.96Å
80F96Very high94.5Very high103 Ų10367.3 Ų67.345%0.45232%0.321SS..Hα-helixtrans-69.7-35.2175.7-64.7-20.2000112.6L29 K77 L78 A84L29-F80 HydrophobicContact CD2-CB 4.32Å; K77-F80 HydrophobicContact CB-CD2 4.21Å; K77-F80 HydrophobicContact CB-CG 4.46Å; K77-F80 WeakPolarHBondContact O-CB 3.5Å; K77-F80 PolarHBondContact O-N 3.16Å; L78-F80 PolarHBondContact O-N 3.06Å; F80-A84 VanDerWaalsContact O-CB 3.27Å; F80-A84 WeakPolarHBondContact O-CB 3.2Å; F80-A84 PolarHBondContact O-N 2.62Å
81L97.6Very high94.4Very high0 Ų069.8 Ų69.80%033%0.328CS..Hα-helixtrans-68-44.5175-80.664.2000110.6L29 I62 F65 Y66 R76 L78 A84 A85L29-L81 HydrophobicContact CD1-CD1 3.62Å; L29-L81 HydrophobicContact CD1-CG 3.85Å; I62-L81 HydrophobicContact CG2-CB 4.28Å; F65-L81 HydrophobicContact CD1-CD2 3.8Å; F65-L81 HydrophobicContact CD1-CG 4.05Å; F65-L81 HydrophobicContact CE1-CD2 4.47Å; F65-L81 HydrophobicContact CE1-CG 4.42Å; Y66-L81 HydrophobicContact CD2-CD2 3.92Å; Y66-L81 HydrophobicContact CG-CD2 4.26Å; R76-L81 HydrophobicContact CB-CD1 3.7Å; L78-L81 HydrophobicContact CD1-CB 4.4Å; L78-L81 WeakPolarHBondContact O-CB 3.29Å; L78-L81 PolarHBondContact O-N 3.1Å; L81-A84 PolarHBondContact O-N 3.32Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.48Å
82I97.6Very high94.3Very high1 Ų173.2 Ų73.21%0.00535%0.351CS..Hα-helixtrans-58.8-52.4175.3-68.7168.2000109.9I62 L78 S79 A84 A85 Y86 F101 L104 V105I62-I82 HydrophobicContact CD1-CG1 4.29Å; I62-I82 HydrophobicContact CG2-CG1 4.13Å; L78-I82 HydrophobicContact CD1-CD1 4.28Å; L78-I82 HydrophobicContact CD1-CG1 4.18Å; L78-I82 HydrophobicContact CD2-CD1 4.41Å; L78-I82 HydrophobicContact CG-CD1 3.89Å; L78-I82 HydrophobicContact CG-CG1 4.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 2.97Å; S79-I82 PolarHBondContact O-N 3.1Å; I82-A84 PolarHBondContact O-N 2.99Å; I82-A85 PolarHBondContact O-N 3.16Å; I82-Y86 HydrophobicContact CG2-CD2 3.98Å; I82-Y86 HydrophobicContact CG2-CE2 4.03Å; I82-Y86 VanDerWaalsContact O-CD2 3.28Å; I82-Y86 WeakPolarHBondContact O-CD2 3.25Å; I82-Y86 PolarHBondContact O-N 3.2Å; I82-F101 HydrophobicContact CB-CE2 4.33Å; I82-F101 HydrophobicContact CD1-CE2 3.86Å; I82-F101 HydrophobicContact CD1-CZ 3.97Å; I82-F101 HydrophobicContact CG2-CD2 4.5Å; I82-F101 HydrophobicContact CG2-CE2 3.99Å; I82-L104 HydrophobicContact CD1-CD2 4.03Å; I82-L104 HydrophobicContact CD1-CG 4.09Å; I82-L104 HydrophobicContact CG1-CD2 4.25Å; I82-L104 HydrophobicContact CG2-CD2 3.61Å; I82-V105 HydrophobicContact CD1-CG2 3.93Å
83K96.6Very high94.2Very high122 Ų12271.9 Ų71.953%0.5335%0.352SS..Hα-helixtrans-56.9-48.5179.4-176174.3-178.7176.10111.5S79 A85 Y86 D87S79-K83 WeakPolarHBondContact O-CB 3.49Å; S79-K83 PolarHBondContact O-N 3.22Å; K83-A85 VanDerWaalsContact C-N 3.34Å; K83-A85 PolarHBondContact O-N 2.67Å; K83-Y86 PolarHBondContact O-N 3.25Å; K83-D87 WeakPolarHBondContact O-CB 3.46Å; K83-D87 PolarHBondContact O-N 3.41Å
84A96.8Very high94.3Very high8 Ų864.5 Ų64.57%0.06632%0.32CS..Hα-helixtrans-57.5-46177.800000112.1I25 L29 F80 L81 I82 Y86 D87 I88I25-A84 HydrophobicContact CG2-CB 4.27Å; L29-A84 HydrophobicContact CD2-CB 4.41Å; L29-A84 HydrophobicContact CG-CB 4.37Å; F80-A84 VanDerWaalsContact O-CB 3.27Å; F80-A84 WeakPolarHBondContact O-CB 3.2Å; F80-A84 PolarHBondContact O-N 2.62Å; L81-A84 PolarHBondContact O-N 3.32Å; I82-A84 PolarHBondContact O-N 2.99Å; A84-Y86 PolarHBondContact O-N 2.98Å; A84-D87 PolarHBondContact O-N 3.3Å; A84-I88 VanDerWaalsContact O-CD1 3.27Å; A84-I88 WeakPolarHBondContact O-CD1 3.33Å; A84-I88 WeakPolarHBondContact O-CG1 3.38Å; A84-I88 PolarHBondContact O-N 2.94Å
85A98Very high94.5Very high0 Ų068.6 Ų68.60%034%0.344CS..Hα-helixtrans-61.5-44179.400000112.6I25 I58 I62 L81 I82 K83 I88 L89I25-A85 HydrophobicContact CD1-CB 3.67Å; I25-A85 HydrophobicContact CG1-CB 4.11Å; I58-A85 HydrophobicContact CG1-CB 4.47Å; I62-A85 HydrophobicContact CD1-CB 3.75Å; I62-A85 HydrophobicContact CG1-CB 3.7Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.48Å; I82-A85 PolarHBondContact O-N 3.16Å; K83-A85 VanDerWaalsContact C-N 3.34Å; K83-A85 PolarHBondContact O-N 2.67Å; A85-I88 PolarHBondContact O-N 2.74Å; A85-L89 WeakPolarHBondContact O-CG 3.45Å; A85-L89 PolarHBondContact O-N 3.31Å; A85-L89 VanDerWaalsContact O-N 3.11Å
86Y97.2Very high94.8Very high43 Ų4368.7 Ų68.717%0.16933%0.333CS..Hα-helixtrans-70-39.5179.2-84.3-107.6000112.1I58 I82 K83 A84 I88 L89 K90 R91 P92 A93 L104I58-Y86 HydrophobicContact CD1-CD2 3.96Å; I58-Y86 HydrophobicContact CD1-CE2 3.63Å; I82-Y86 HydrophobicContact CG2-CD2 3.98Å; I82-Y86 HydrophobicContact CG2-CE2 4.03Å; I82-Y86 VanDerWaalsContact O-CD2 3.28Å; I82-Y86 WeakPolarHBondContact O-CD2 3.25Å; I82-Y86 PolarHBondContact O-N 3.2Å; K83-Y86 PolarHBondContact O-N 3.25Å; A84-Y86 PolarHBondContact O-N 2.98Å; Y86-I88 VanDerWaalsContact C-N 3.27Å; Y86-I88 PolarHBondContact O-N 3.32Å; Y86-L89 CarbonylContact O-C 3.59Å; Y86-L89 PolarHBondContact O-N 3.37Å; Y86-K90 PolarHBondContact O-N 3.38Å; Y86-R91 HydrophobicContact CD1-CB 3.89Å; Y86-R91 PolarHBondContact O-N 2.9Å; Y86-P92 WeakPolarHBondContact CD1-O 3.48Å; Y86-A93 HydrophobicContact CD1-CB 4.31Å; Y86-A93 HydrophobicContact CG-CB 4.09Å; Y86-L104 HydrophobicContact CE2-CD2 3.97Å
87D96.7Very high95Very high69 Ų6966.7 Ų66.737%0.36934%0.342SS..Hα-helixtrans-65.4-29.1175-69.9-16.8000112.6R28 K83 A84R28-D87 VanDerWaalsContact NH1-C 3.28Å; R28-D87 VanDerWaalsContact NH1-CB 3.26Å; R28-D87 PolarHBondContact NH1-O 2.91Å; K83-D87 WeakPolarHBondContact O-CB 3.46Å; K83-D87 PolarHBondContact O-N 3.41Å; A84-D87 PolarHBondContact O-N 3.3Å
88I95.6Very high95.1Very high17 Ų1761.3 Ų61.39%0.08732%0.323CS..Hα-helixtrans-68.5-51172.2-72.6158000109.8L21 E24 I25 A84 A85 Y86 K90L21-I88 HydrophobicContact CD1-CB 4.01Å; L21-I88 HydrophobicContact CD1-CD1 4.07Å; L21-I88 HydrophobicContact CD1-CG2 3.62Å; E24-I88 HydrophobicContact CB-CD1 3.53Å; E24-I88 HydrophobicContact CB-CG1 4.07Å; E24-I88 HydrophobicContact CB-CG2 4.28Å; E24-I88 WeakPolarHBondContact OE2-CG2 3.27Å; I25-I88 HydrophobicContact CB-CD1 4.27Å; I25-I88 HydrophobicContact CG1-CD1 3.56Å; A84-I88 VanDerWaalsContact O-CD1 3.27Å; A84-I88 WeakPolarHBondContact O-CD1 3.33Å; A84-I88 WeakPolarHBondContact O-CG1 3.38Å; A84-I88 PolarHBondContact O-N 2.94Å; A85-I88 PolarHBondContact O-N 2.74Å; Y86-I88 VanDerWaalsContact C-N 3.27Å; Y86-I88 PolarHBondContact O-N 3.32Å; I88-K90 PolarHBondContact O-N 3.26Å; I88-K90 VanDerWaalsContact O-N 3.13Å
89L94.5Very high95.2Very high65 Ų6565.8 Ų65.834%0.3435%0.347SS..THydrogen-bonded Turntrans-75.21.8-177.7-63.1173.8000113.7L21 I58 A85 Y86 R91L21-L89 HydrophobicContact CD1-CD2 4.35Å; L21-L89 HydrophobicContact CD1-CG 4.21Å; L21-L89 HydrophobicContact CD2-CD1 4.16Å; I58-L89 HydrophobicContact CB-CD1 4.14Å; I58-L89 HydrophobicContact CD1-CD1 3.43Å; I58-L89 VanDerWaalsContact CD1-CD1 3.43Å; I58-L89 HydrophobicContact CG1-CD1 3.72Å; A85-L89 WeakPolarHBondContact O-CG 3.45Å; A85-L89 PolarHBondContact O-N 3.31Å; A85-L89 VanDerWaalsContact O-N 3.11Å; Y86-L89 CarbonylContact O-C 3.59Å; Y86-L89 PolarHBondContact O-N 3.37Å; L89-R91 HydrophobicContact CB-CG 4.19Å; L89-R91 PolarHBondContact O-N 3.4Å
90K94.6Very high95.1Very high175 Ų17567.9 Ų67.976%0.76137%0.365SS*.THydrogen-bonded Turntrans53.737.6-176.9-51.3-59.7178.2-177.20112.1Y86 I88Y86-K90 PolarHBondContact O-N 3.38Å; I88-K90 PolarHBondContact O-N 3.26Å; I88-K90 VanDerWaalsContact O-N 3.13Å
91R93.1Very high95.2Very high146 Ų14663.9 Ų63.955%0.55135%0.348SS*.  trans-109.5144.6177.9-68.8-179.3-177.3179.6-0.5109.8Y86 L89 A93Y86-R91 HydrophobicContact CD1-CB 3.89Å; Y86-R91 PolarHBondContact O-N 2.9Å; L89-R91 HydrophobicContact CB-CG 4.19Å; L89-R91 PolarHBondContact O-N 3.4Å; R91-A93 PolarHBondContact O-N 3.49Å
92P91.5Very high95.2Very high122 Ų12268.9 Ų68.979%0.79237%0.369SS*.PPolyproline II helixtrans-65.1121.3173.927.3-32.9000109.5Y86Y86-P92 WeakPolarHBondContact CD1-O 3.48Å
93A90.5Very high95.2Very high42 Ų4276.8 Ų76.835%0.34740%0.399SS..PPolyproline II helixtrans-70.1139.3171.600000109.5Y86 R91Y86-A93 HydrophobicContact CD1-CB 4.31Å; Y86-A93 HydrophobicContact CG-CB 4.09Å; R91-A93 PolarHBondContact O-N 3.49Å
94P92.4Very high95.2Very high32 Ų3271.7 Ų71.721%0.20838%0.377CS..PPolyproline II helixtrans-64.7142.4172.326.3-30.1000109.9A100 F101 L104P94-A100 HydrophobicContact CB-CB 4.15Å; P94-F101 HydrophobicContact CB-CB 4.15Å; P94-F101 HydrophobicContact CG-CB 4.2Å; P94-F101 HydrophobicContact CG-CD2 4.14Å; P94-F101 WeakPolarHBondContact O-CD2 3.45Å; P94-L104 HydrophobicContact CG-CD2 4.15Å
95D93.6Very high95.3Very high122 Ų12272.8 Ų72.865%0.65238%0.383SS*.PPolyproline II helixtrans-60137.6176.7-179.6-168.6000110.6G97 S98 F101D95-G97 PolarHBondContact O-N 3.25Å; D95-G97 VanDerWaalsContact O-N 3.14Å; D95-G97 PolarHBondContact OD2-N 3.2Å; D95-S98 VanDerWaalsContact O-CB 3.27Å; D95-S98 WeakPolarHBondContact O-CB 3.5Å; D95-S98 PolarHBondContact O-N 3.45Å; D95-S98 PolarHBondContact O-OG 2.94Å; D95-F101 WeakPolarHBondContact O-CB 3.4Å
96E93.2Very high95.3Very high104 Ų10478.7 Ų78.749%0.48641%0.411SS..THydrogen-bonded Turntrans-58-28.9-177.5-66.1-164.9-167.600112.6S79 S98 F101S79-E96 VanDerWaalsContact CB-OE1 3.23Å; S79-E96 WeakPolarHBondContact CB-OE1 3.44Å; S79-E96 PolarHBondContact OG-OE1 2.96Å; E96-S98 VanDerWaalsContact C-N 3.35Å; E96-F101 HydrophobicContact CB-CD1 4.29Å; E96-F101 HydrophobicContact CB-CE1 4.23Å; E96-F101 HydrophobicContact CB-CZ 4.47Å; E96-F101 HydrophobicContact CG-CD2 4.4Å; E96-F101 HydrophobicContact CG-CE1 4.17Å; E96-F101 HydrophobicContact CG-CE2 4.02Å; E96-F101 HydrophobicContact CG-CZ 3.91Å; E96-F101 WeakPolarHBondContact O-CD1 3.4Å
97G94Very high95.3Very high52 Ų5280.8 Ų80.854%0.53643%0.425SS..THydrogen-bonded Turntrans-75.8-19.2175.700000114.8D95 K102D95-G97 PolarHBondContact O-N 3.25Å; D95-G97 VanDerWaalsContact O-N 3.14Å; D95-G97 PolarHBondContact OD2-N 3.2Å; G97-K102 WeakPolarHBondContact O-CE 3.42Å; G97-K102 PolarHBondContact O-NZ 3.49Å
98S96.2Very high95.4Very high35 Ų3577.5 Ų77.525%0.24541%0.408CS..SBendtrans-75.4151.1-171.573.60000113.3D95 E96 A100 F101 K102D95-S98 VanDerWaalsContact O-CB 3.27Å; D95-S98 WeakPolarHBondContact O-CB 3.5Å; D95-S98 PolarHBondContact O-N 3.45Å; D95-S98 PolarHBondContact O-OG 2.94Å; E96-S98 VanDerWaalsContact C-N 3.35Å; S98-A100 PolarHBondContact O-N 3.42Å; S98-F101 PolarHBondContact O-N 3.49Å; S98-F101 VanDerWaalsContact O-N 3.16Å; S98-F101 PolarHBondContact OG-N 2.9Å; S98-K102 PolarHBondContact O-N 3.26Å; S98-K102 VanDerWaalsContact O-N 3.1Å
99D96.8Very high95.5Very high107 Ų10780.6 Ų80.657%0.57242%0.421SS*.Hα-helixtrans-65.5-26.1174.6-67.9-23.3000112.5K102 R103D99-K102 PolarHBondContact O-N 3.05Å; D99-K102 IonicContact OD1-NZ 3.07Å; D99-K102 PolarHBondContact OD1-NZ 3.02Å; D99-K102 VanDerWaalsContact OD1-NZ 3.07Å; D99-R103 WeakPolarHBondContact O-CB 3.29Å; D99-R103 VanDerWaalsContact O-CG 3.24Å; D99-R103 WeakPolarHBondContact O-CG 3.41Å; D99-R103 PolarHBondContact O-N 3.18Å
100A95.7Very high95.7Very high60 Ų6080.3 Ų80.350%0.49643%0.428SS..Hα-helixtrans-63-44.5172.500000111.5P94 S98 R103 L104P94-A100 HydrophobicContact CB-CB 4.15Å; S98-A100 PolarHBondContact O-N 3.42Å; A100-R103 PolarHBondContact O-N 3.04Å; A100-L104 WeakPolarHBondContact O-CB 3.18Å; A100-L104 PolarHBondContact O-N 3.48Å
101F97.4Very high95.8Very high20 Ų2072.9 Ų72.99%0.08840%0.397CS..Hα-helixtrans-66.8-43.4176.3-176.4-88.5000111.8I82 P94 D95 E96 S98 R103 L104 V105I82-F101 HydrophobicContact CB-CE2 4.33Å; I82-F101 HydrophobicContact CD1-CE2 3.86Å; I82-F101 HydrophobicContact CD1-CZ 3.97Å; I82-F101 HydrophobicContact CG2-CD2 4.5Å; I82-F101 HydrophobicContact CG2-CE2 3.99Å; P94-F101 HydrophobicContact CB-CB 4.15Å; P94-F101 HydrophobicContact CG-CB 4.2Å; P94-F101 HydrophobicContact CG-CD2 4.14Å; P94-F101 WeakPolarHBondContact O-CD2 3.45Å; D95-F101 WeakPolarHBondContact O-CB 3.4Å; E96-F101 HydrophobicContact CB-CD1 4.29Å; E96-F101 HydrophobicContact CB-CE1 4.23Å; E96-F101 HydrophobicContact CB-CZ 4.47Å; E96-F101 HydrophobicContact CG-CD2 4.4Å; E96-F101 HydrophobicContact CG-CE1 4.17Å; E96-F101 HydrophobicContact CG-CE2 4.02Å; E96-F101 HydrophobicContact CG-CZ 3.91Å; E96-F101 WeakPolarHBondContact O-CD1 3.4Å; S98-F101 PolarHBondContact O-N 3.49Å; S98-F101 VanDerWaalsContact O-N 3.16Å; S98-F101 PolarHBondContact OG-N 2.9Å; F101-R103 VanDerWaalsContact C-N 3.32Å; F101-R103 PolarHBondContact O-N 3.46Å; F101-L104 WeakPolarHBondContact O-CB 3.29Å; F101-L104 PolarHBondContact O-N 3.48Å; F101-L104 VanDerWaalsContact O-N 3.12Å; F101-V105 HydrophobicContact CD1-CG2 3.92Å; F101-V105 HydrophobicContact CE1-CG2 3.47Å; F101-V105 VanDerWaalsContact CE1-CG2 3.47Å; F101-V105 HydrophobicContact CZ-CG2 3.88Å; F101-V105 WeakPolarHBondContact O-CG2 3.32Å; F101-V105 PolarHBondContact O-N 3.02Å
102K97.4Very high96Very high105 Ų10567.1 Ų67.146%0.45738%0.376SS..Hα-helixtrans-58.5-43.2176.1-65.3172.5-162.3155.30112G97 S98 D99 V105 Q106G97-K102 WeakPolarHBondContact O-CE 3.42Å; G97-K102 PolarHBondContact O-NZ 3.49Å; S98-K102 PolarHBondContact O-N 3.26Å; S98-K102 VanDerWaalsContact O-N 3.1Å; D99-K102 PolarHBondContact O-N 3.05Å; D99-K102 IonicContact OD1-NZ 3.07Å; D99-K102 PolarHBondContact OD1-NZ 3.02Å; D99-K102 VanDerWaalsContact OD1-NZ 3.07Å; K102-V105 PolarHBondContact O-N 3.26Å; K102-Q106 WeakPolarHBondContact O-CG 3.48Å; K102-Q106 PolarHBondContact O-N 3.39Å
103R97.3Very high96.3Very high167 Ų16764.1 Ų64.163%0.6336%0.361SS*.Hα-helixtrans-64.2-40.4174.7-73.2173.9-173.3-86.52.3112.1D99 A100 F101 Q106 N107D99-R103 WeakPolarHBondContact O-CB 3.29Å; D99-R103 VanDerWaalsContact O-CG 3.24Å; D99-R103 WeakPolarHBondContact O-CG 3.41Å; D99-R103 PolarHBondContact O-N 3.18Å; A100-R103 PolarHBondContact O-N 3.04Å; F101-R103 VanDerWaalsContact C-N 3.32Å; F101-R103 PolarHBondContact O-N 3.46Å; R103-Q106 PolarHBondContact O-N 3.31Å; R103-N107 VanDerWaalsContact O-CG 3.24Å; R103-N107 PolarHBondContact O-N 3.25Å; R103-N107 PolarHBondContact O-ND2 2.79Å
104L96.7Very high96.7Very high14 Ų1464 Ų647%0.07336%0.357CS..Hα-helixtrans-61-45.8175.4177.260000111.4L59 I82 Y86 P94 A100 F101 Q106 N107 V108L59-L104 HydrophobicContact CD2-CD1 3.34Å; I82-L104 HydrophobicContact CD1-CD2 4.03Å; I82-L104 HydrophobicContact CD1-CG 4.09Å; I82-L104 HydrophobicContact CG1-CD2 4.25Å; I82-L104 HydrophobicContact CG2-CD2 3.61Å; Y86-L104 HydrophobicContact CE2-CD2 3.97Å; P94-L104 HydrophobicContact CG-CD2 4.15Å; A100-L104 WeakPolarHBondContact O-CB 3.18Å; A100-L104 PolarHBondContact O-N 3.48Å; F101-L104 WeakPolarHBondContact O-CB 3.29Å; F101-L104 PolarHBondContact O-N 3.48Å; F101-L104 VanDerWaalsContact O-N 3.12Å; L104-Q106 PolarHBondContact O-N 3.33Å; L104-N107 PolarHBondContact O-N 2.78Å; L104-V108 HydrophobicContact CD1-CG2 4.47Å; L104-V108 WeakPolarHBondContact O-CG2 3.24Å; L104-V108 PolarHBondContact O-N 2.9Å
105V98.1Very high96.9Very high31 Ų3162.5 Ų62.519%0.18835%0.347CS..Hα-helixtrans-59.7-45.5175.4166.80000111.5L78 I82 F101 K102 N107 V108 H109L78-V105 HydrophobicContact CD2-CB 4.35Å; L78-V105 HydrophobicContact CD2-CG1 4.04Å; L78-V105 HydrophobicContact CD2-CG2 4.17Å; I82-V105 HydrophobicContact CD1-CG2 3.93Å; F101-V105 HydrophobicContact CD1-CG2 3.92Å; F101-V105 HydrophobicContact CE1-CG2 3.47Å; F101-V105 VanDerWaalsContact CE1-CG2 3.47Å; F101-V105 HydrophobicContact CZ-CG2 3.88Å; F101-V105 WeakPolarHBondContact O-CG2 3.32Å; F101-V105 PolarHBondContact O-N 3.02Å; K102-V105 PolarHBondContact O-N 3.26Å; V105-N107 VanDerWaalsContact C-N 3.34Å; V105-N107 PolarHBondContact O-N 3.27Å; V105-V108 PolarHBondContact O-N 3.41Å; V105-H109 PolarHBondContact O-N 2.98Å
106Q98Very high97.1Very high125 Ų12559.9 Ų59.958%0.58433%0.333SS*.Hα-helixtrans-59.6-43.5176-73.3172.7-16.300112.1K102 R103 L104 V108 H109 A110K102-Q106 WeakPolarHBondContact O-CG 3.48Å; K102-Q106 PolarHBondContact O-N 3.39Å; R103-Q106 PolarHBondContact O-N 3.31Å; L104-Q106 PolarHBondContact O-N 3.33Å; Q106-V108 VanDerWaalsContact C-N 3.33Å; Q106-V108 PolarHBondContact O-N 3.49Å; Q106-H109 PolarHBondContact O-N 2.89Å; Q106-A110 PolarHBondContact O-N 3.16Å
107N97.6Very high97.2Very high87 Ų8761.7 Ų61.747%0.46534%0.343SS..Hα-helixtrans-63.3-39.5176.9-71.5-17.4000111.9R103 L104 V105 A110 L111R103-N107 VanDerWaalsContact O-CG 3.24Å; R103-N107 PolarHBondContact O-N 3.25Å; R103-N107 PolarHBondContact O-ND2 2.79Å; L104-N107 PolarHBondContact O-N 2.78Å; V105-N107 VanDerWaalsContact C-N 3.34Å; V105-N107 PolarHBondContact O-N 3.27Å; N107-A110 PolarHBondContact O-N 3.1Å; N107-L111 WeakPolarHBondContact O-CB 3.44Å; N107-L111 WeakPolarHBondContact O-CG 3Å; N107-L111 PolarHBondContact O-N 3.05Å
108V98.3Very high97.3Very high0 Ų061 Ų610%033%0.328CS..Hα-helixtrans-66.5-41.7176.3173.10000111.3I62 A63 L78 L104 V105 Q106 L111 E112I62-V108 HydrophobicContact CG2-CG1 4.17Å; I62-V108 HydrophobicContact CG2-CG2 3.98Å; A63-V108 HydrophobicContact CB-CG1 4.05Å; L78-V108 HydrophobicContact CD1-CB 4.4Å; L78-V108 HydrophobicContact CD1-CG1 3.66Å; L78-V108 HydrophobicContact CD2-CB 3.94Å; L78-V108 HydrophobicContact CD2-CG1 3.78Å; L78-V108 HydrophobicContact CG-CG1 4.39Å; L104-V108 HydrophobicContact CD1-CG2 4.47Å; L104-V108 WeakPolarHBondContact O-CG2 3.24Å; L104-V108 PolarHBondContact O-N 2.9Å; V105-V108 PolarHBondContact O-N 3.41Å; Q106-V108 VanDerWaalsContact C-N 3.33Å; Q106-V108 PolarHBondContact O-N 3.49Å; V108-L111 PolarHBondContact O-N 3.45Å; V108-E112 WeakPolarHBondContact O-CB 3.37Å; V108-E112 PolarHBondContact O-N 3.13Å
109H98.2Very high97.2Very high82 Ų8259.6 Ų59.638%0.3832%0.318SS..Hα-helixtrans-65.2-38175.4-69.7164.7000112.7V105 Q106 E112 A113V105-H109 PolarHBondContact O-N 2.98Å; Q106-H109 PolarHBondContact O-N 2.89Å; H109-E112 IonicContact CD2-OE2 3.8Å; H109-E112 PolarHBondContact O-N 3.44Å; H109-A113 PolarHBondContact O-N 3.32Å; H109-A113 VanDerWaalsContact O-N 3.11Å
110A98.2Very high97Very high58 Ų5855.8 Ų55.848%0.47930%0.304SS..Hα-helixtrans-63.6-42.5173.200000111.4Q106 N107 A113 T114Q106-A110 PolarHBondContact O-N 3.16Å; N107-A110 PolarHBondContact O-N 3.1Å; A110-A113 PolarHBondContact O-N 3.19Å; A110-T114 PolarHBondContact O-N 3.29Å; A110-T114 VanDerWaalsContact O-N 3.09Å; A110-T114 PolarHBondContact O-OG1 2.89Å; A110-T114 VanDerWaalsContact O-OG1 3.12Å
111L98Very high96.5Very high19 Ų1962.2 Ų62.210%0.09932%0.321CS..Hα-helixtrans-66.9-37.6175.4-76.7171.6000112.8F46 I55 L59 A63 N107 V108 A113 T114 I115F46-L111 HydrophobicContact CE2-CD2 4.31Å; F46-L111 HydrophobicContact CZ-CD2 3.76Å; I55-L111 HydrophobicContact CD1-CD2 4.17Å; I55-L111 HydrophobicContact CG2-CD1 4.21Å; I55-L111 HydrophobicContact CG2-CD2 3.79Å; L59-L111 HydrophobicContact CB-CD1 3.63Å; L59-L111 HydrophobicContact CD1-CD1 4.45Å; A63-L111 HydrophobicContact CB-CB 3.75Å; N107-L111 WeakPolarHBondContact O-CB 3.44Å; N107-L111 WeakPolarHBondContact O-CG 3Å; N107-L111 PolarHBondContact O-N 3.05Å; V108-L111 PolarHBondContact O-N 3.45Å; L111-A113 VanDerWaalsContact C-N 3.34Å; L111-A113 PolarHBondContact O-N 3.28Å; L111-T114 PolarHBondContact O-N 3Å; L111-I115 WeakPolarHBondContact O-CB 3.4Å; L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.23Å; L111-I115 PolarHBondContact O-N 3.27Å
112E97.7Very high95.8Very high25 Ų2569.7 Ų69.712%0.11736%0.356CS..Hα-helixtrans-55.1-50.5172.1161173.2-138.800110.6Y66 K70 V108 H109 T114 I115 L116Y66-E112 WeakPolarHBondContact CE1-OE2 3.23Å; K70-E112 VanDerWaalsContact CD-OE1 3.32Å; K70-E112 WeakPolarHBondContact CD-OE1 3.39Å; K70-E112 WeakPolarHBondContact CE-OE1 3.4Å; K70-E112 VanDerWaalsContact NZ-CD 3.27Å; K70-E112 IonicContact NZ-OE1 2.64Å; K70-E112 PolarHBondContact NZ-OE1 3.32Å; K70-E112 IonicContact NZ-OE2 3.1Å; K70-E112 PolarHBondContact NZ-OE2 2.77Å; K70-E112 VanDerWaalsContact NZ-OE2 3.1Å; V108-E112 WeakPolarHBondContact O-CB 3.37Å; V108-E112 PolarHBondContact O-N 3.13Å; H109-E112 IonicContact CD2-OE2 3.8Å; H109-E112 PolarHBondContact O-N 3.44Å; E112-T114 VanDerWaalsContact C-N 3.32Å; E112-T114 PolarHBondContact O-N 3.47Å; E112-I115 PolarHBondContact O-N 3.17Å; E112-L116 HydrophobicContact CG-CD1 4.02Å; E112-L116 WeakPolarHBondContact O-CG 3.47Å; E112-L116 PolarHBondContact O-N 3Å
113A97.9Very high95.3Very high59 Ų5966 Ų6649%0.48834%0.342SS..Hα-helixtrans-59.5-43.217800000111.9H109 A110 L111 L116 M117H109-A113 PolarHBondContact O-N 3.32Å; H109-A113 VanDerWaalsContact O-N 3.11Å; A110-A113 PolarHBondContact O-N 3.19Å; L111-A113 VanDerWaalsContact C-N 3.34Å; L111-A113 PolarHBondContact O-N 3.28Å; A113-L116 PolarHBondContact O-N 3.44Å; A113-M117 WeakPolarHBondContact O-CB 3.46Å; A113-M117 PolarHBondContact O-N 2.78Å
114T97.9Very high94.8Very high41 Ų4160.3 Ų60.325%0.25232%0.324SS..Hα-helixtrans-65.9-42.1177.1-54.90000112.2F46 F50 A110 L111 E112 M117 V118F46-T114 HydrophobicContact CE2-CG2 3.87Å; F50-T114 HydrophobicContact CD2-CG2 4.47Å; F50-T114 HydrophobicContact CE2-CG2 3.5Å; F50-T114 VanDerWaalsContact CE2-CG2 3.5Å; F50-T114 HydrophobicContact CZ-CG2 3.66Å; A110-T114 PolarHBondContact O-N 3.29Å; A110-T114 VanDerWaalsContact O-N 3.09Å; A110-T114 PolarHBondContact O-OG1 2.89Å; A110-T114 VanDerWaalsContact O-OG1 3.12Å; L111-T114 PolarHBondContact O-N 3Å; E112-T114 VanDerWaalsContact C-N 3.32Å; E112-T114 PolarHBondContact O-N 3.47Å; T114-M117 HydrophobicContact CG2-CE 4.45Å; T114-M117 WeakPolarHBondContact O-CB 3.47Å; T114-M117 PolarHBondContact O-N 2.98Å; T114-V118 HydrophobicContact CG2-CG2 4.47Å; T114-V118 WeakPolarHBondContact O-CG2 3.35Å; T114-V118 PolarHBondContact O-N 3.49Å
115I97.7Very high94.4Very high0 Ų067.7 Ų67.70%036%0.358CS..Hα-helixtrans-60.7-48.3177.3-73.1165.7000109.9F46 A63 A64 L111 E112 M117 V118 I119F46-I115 HydrophobicContact CB-CG1 4.22Å; F46-I115 HydrophobicContact CD2-CB 4.37Å; F46-I115 HydrophobicContact CD2-CD1 4.43Å; F46-I115 HydrophobicContact CD2-CG1 3.38Å; F46-I115 HydrophobicContact CE2-CG1 3.86Å; F46-I115 HydrophobicContact CG-CG1 3.92Å; A63-I115 HydrophobicContact CB-CD1 3.69Å; A64-I115 HydrophobicContact CB-CD1 4.09Å; L111-I115 WeakPolarHBondContact O-CB 3.4Å; L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.23Å; L111-I115 PolarHBondContact O-N 3.27Å; E112-I115 PolarHBondContact O-N 3.17Å; I115-M117 VanDerWaalsContact C-N 3.26Å; I115-M117 PolarHBondContact O-N 3.08Å; I115-V118 PolarHBondContact O-N 3.41Å; I115-V118 VanDerWaalsContact O-N 3.13Å; I115-I119 HydrophobicContact CG2-CD1 4.29Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.46Å
116L96.7Very high93.8Very high67 Ų6767 Ų6735%0.35135%0.354SS..Hα-helixtrans-60.1-37.2177.9-69173.3000112E112 A113 I119 G120 L124E112-L116 HydrophobicContact CG-CD1 4.02Å; E112-L116 WeakPolarHBondContact O-CG 3.47Å; E112-L116 PolarHBondContact O-N 3Å; A113-L116 PolarHBondContact O-N 3.44Å; L116-I119 HydrophobicContact CD2-CD1 4.35Å; L116-G120 WeakPolarHBondContact O-CA 3.4Å; L116-G120 PolarHBondContact O-N 3.4Å; L116-L124 HydrophobicContact CD2-CD1 3.66Å
117M96.4Very high93.5Very high142 Ų14267.7 Ų67.770%0.736%0.355SS*.Hα-helixtrans-67.2-41174.3-175-17869.200112.5A113 T114 I115A113-M117 WeakPolarHBondContact O-CB 3.46Å; A113-M117 PolarHBondContact O-N 2.78Å; T114-M117 HydrophobicContact CG2-CE 4.45Å; T114-M117 WeakPolarHBondContact O-CB 3.47Å; T114-M117 PolarHBondContact O-N 2.98Å; I115-M117 VanDerWaalsContact C-N 3.26Å; I115-M117 PolarHBondContact O-N 3.08Å
118V95.9Very high93.4Very high37 Ų3764.2 Ų64.222%0.22434%0.336CS..Hα-helixtrans-67.4-46.6179.8169.40000111.6F46 V49 F50 T114 I115F46-V118 HydrophobicContact CD2-CG2 4.49Å; V49-V118 HydrophobicContact CB-CG1 4.48Å; V49-V118 HydrophobicContact CB-CG2 4.34Å; V49-V118 HydrophobicContact CG2-CG1 3.76Å; V49-V118 HydrophobicContact CG2-CG2 4.23Å; F50-V118 HydrophobicContact CD2-CG2 4.38Å; F50-V118 HydrophobicContact CE2-CG2 3.73Å; T114-V118 HydrophobicContact CG2-CG2 4.47Å; T114-V118 WeakPolarHBondContact O-CG2 3.35Å; T114-V118 PolarHBondContact O-N 3.49Å; I115-V118 PolarHBondContact O-N 3.41Å; I115-V118 VanDerWaalsContact O-N 3.13Å
119I94.4Very high93.4Very high5 Ų564.7 Ų64.73%0.02634%0.339CS..Hα-helixtrans-76.4-34.2-177.869.1-174.2000110.9Y42 Y45 I115 L116 T123 L124Y42-I119 HydrophobicContact CD1-CD1 3.62Å; Y42-I119 HydrophobicContact CD1-CG2 4.25Å; Y42-I119 HydrophobicContact CD2-CD1 4.41Å; Y42-I119 HydrophobicContact CE1-CD1 3.67Å; Y42-I119 HydrophobicContact CE2-CD1 4.44Å; Y42-I119 HydrophobicContact CG-CD1 4.02Å; Y45-I119 HydrophobicContact CG-CG2 4.39Å; I115-I119 HydrophobicContact CG2-CD1 4.29Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.46Å; L116-I119 HydrophobicContact CD2-CD1 4.35Å; I119-T123 HydrophobicContact CB-CG2 4.25Å; I119-T123 WeakPolarHBondContact O-CB 3.38Å; I119-T123 PolarHBondContact O-OG1 3.11Å; I119-L124 HydrophobicContact CD1-CD1 3.53Å; I119-L124 HydrophobicContact CG1-CD1 4.3Å
120G91.3Very high93.4Very high28 Ų2861 Ų6129%0.28932%0.322SS..Hα-helixtrans64.6178.3-177.200000113.2L116 H122 L124L116-G120 WeakPolarHBondContact O-CA 3.4Å; L116-G120 PolarHBondContact O-N 3.4Å; G120-H122 PolarHBondContact O-N 2.82Å; G120-L124 WeakPolarHBondContact O-CB 3.4Å; G120-L124 PolarHBondContact O-N 3.28Å
121F85.2Confident93.3Very high195 Ų19561 Ų6186%0.85532%0.316SS*.Hα-helixtrans-67.1-34.2-174.3-69.3-70.2000113.9
122H83.4Confident93.4Very high177 Ų17762.2 Ų62.282%0.81932%0.322SS*.Hα-helixtrans-70.8-40.1-177.8-173.761.6000112.6G120 L124G120-H122 PolarHBondContact O-N 2.82Å; H122-L124 VanDerWaalsContact C-N 3.35Å
123T86.4Confident93.4Very high28 Ų2861 Ų6117%0.17232%0.316CS..Hα-helixtrans-84-14.2-179-40.40000112.3Y41 Y45 I119 E125Y41-T123 HydrophobicContact CE1-CG2 3.6Å; Y45-T123 HydrophobicContact CD1-CG2 4.03Å; Y45-T123 HydrophobicContact CD2-CG2 4.14Å; Y45-T123 HydrophobicContact CE1-CG2 3.78Å; Y45-T123 HydrophobicContact CE2-CG2 3.94Å; Y45-T123 HydrophobicContact CG-CG2 4.19Å; I119-T123 HydrophobicContact CB-CG2 4.25Å; I119-T123 WeakPolarHBondContact O-CB 3.38Å; I119-T123 PolarHBondContact O-OG1 3.11Å; T123-E125 VanDerWaalsContact C-N 3.27Å; T123-E125 PolarHBondContact O-N 3.26Å
124L88Confident93.4Very high47 Ų4760.8 Ų60.825%0.24631%0.307CS..Hα-helixtrans-60.6-39.8176.8-166.370.3000111.1Y42 T71 L116 I119 G120 H122 V126Y42-L124 PolarHBondContact OH-O 3.38Å; T71-L124 HydrophobicContact CG2-CD1 3.53Å; T71-L124 HydrophobicContact CG2-CD2 4.28Å; T71-L124 HydrophobicContact CG2-CG 3.86Å; L116-L124 HydrophobicContact CD2-CD1 3.66Å; I119-L124 HydrophobicContact CD1-CD1 3.53Å; I119-L124 HydrophobicContact CG1-CD1 4.3Å; G120-L124 WeakPolarHBondContact O-CB 3.4Å; G120-L124 PolarHBondContact O-N 3.28Å; H122-L124 VanDerWaalsContact C-N 3.35Å; L124-V126 PolarHBondContact O-N 3.04Å; L124-V126 VanDerWaalsContact O-N 3.13Å
125E87.9Confident93.4Very high168 Ų16865.3 Ų65.379%0.78532%0.323SS*.SBendtrans-81.285.3174.4-167.5179.8177.500110.3T123 K127T123-E125 VanDerWaalsContact C-N 3.27Å; T123-E125 PolarHBondContact O-N 3.26Å; E125-K127 PolarHBondContact O-N 3.41Å; E125-K127 VanDerWaalsContact O-N 3.17Å
126V86Confident93.3Very high16 Ų1665.6 Ų65.610%0.09733%0.325CS..  trans-73111.4-174.5-174.90000110.7A38 Y41 Y42 L124 Q128A38-V126 HydrophobicContact CB-CG2 4.43Å; Y41-V126 HydrophobicContact CD1-CB 4.21Å; Y41-V126 HydrophobicContact CD1-CG1 3.66Å; Y41-V126 HydrophobicContact CD1-CG2 3.48Å; Y41-V126 VanDerWaalsContact CD1-CG2 3.48Å; Y41-V126 HydrophobicContact CD2-CG1 4.19Å; Y41-V126 HydrophobicContact CE1-CB 4.41Å; Y41-V126 HydrophobicContact CE1-CG1 3.9Å; Y41-V126 HydrophobicContact CE1-CG2 3.88Å; Y41-V126 HydrophobicContact CE2-CG1 4.44Å; Y41-V126 HydrophobicContact CG-CG1 3.79Å; Y41-V126 HydrophobicContact CG-CG2 4.27Å; Y42-V126 HydrophobicContact CD1-CG2 4.23Å; Y42-V126 HydrophobicContact CE1-CG2 3.39Å; L124-V126 PolarHBondContact O-N 3.04Å; L124-V126 VanDerWaalsContact O-N 3.13Å; V126-Q128 PolarHBondContact O-N 3.38Å; V126-Q128 VanDerWaalsContact O-N 3.15Å
127K91.8Very high93.2Very high141 Ų14163.3 Ų63.361%0.61331%0.313SS*.  trans-67.1110.6162.4-71.3-175.1177.2-176.50109.6E125 P129 A169 E170E125-K127 PolarHBondContact O-N 3.41Å; E125-K127 VanDerWaalsContact O-N 3.17Å; K127-P129 WeakPolarHBondContact O-CD 3.28Å; K127-A169 HydrophobicContact CB-CB 3.93Å; K127-A169 VanDerWaalsContact O-CB 3.28Å; K127-A169 WeakPolarHBondContact O-CB 3.23Å; K127-E170 IonicContact NZ-OE1 2.87Å
128Q94.4Very high93.1Very high14 Ų1465.8 Ų65.87%0.06532%0.315CS..  trans-83.4117.4-175-64.8-69.8-19.700112.1V34 V126 H130 V131 L132V34-Q128 HydrophobicContact CG1-CG 4.25Å; V126-Q128 PolarHBondContact O-N 3.38Å; V126-Q128 VanDerWaalsContact O-N 3.15Å; Q128-H130 VanDerWaalsContact C-N 3.26Å; Q128-H130 PolarHBondContact O-N 3.44Å; Q128-V131 HydrophobicContact CB-CB 4.02Å; Q128-V131 HydrophobicContact CB-CG2 3.63Å; Q128-V131 HydrophobicContact CG-CG2 4.32Å; Q128-V131 PolarHBondContact O-N 2.94Å; Q128-L132 PolarHBondContact O-N 3.43Å
129P98.1Very high93Very high10 Ų1067.8 Ų67.87%0.06534%0.335CS..Hα-helixtrans-56.5-39176.5-23.632.8000112.7K127 V131 L132 L133 A169 I172 A173K127-P129 WeakPolarHBondContact O-CD 3.28Å; P129-V131 VanDerWaalsContact C-N 3.28Å; P129-V131 PolarHBondContact O-N 3.44Å; P129-L132 PolarHBondContact O-N 3.44Å; P129-L133 WeakPolarHBondContact O-CB 3.08Å; P129-L133 PolarHBondContact O-N 3.09Å; P129-A169 HydrophobicContact CB-CB 4.49Å; P129-A169 HydrophobicContact CG-CB 3.95Å; P129-I172 HydrophobicContact CB-CB 4.02Å; P129-I172 HydrophobicContact CB-CG2 3.72Å; P129-I172 HydrophobicContact CG-CB 4.08Å; P129-I172 HydrophobicContact CG-CG2 3.91Å; P129-A173 HydrophobicContact CB-CB 4.49Å
130H97.9Very high92.9Very high5 Ų571.1 Ų71.12%0.02335%0.353CS..Hα-helixtrans-60.3-35.3177.5-60.376.9000113.3N37 Q128 I134 Y151 T155N37-H130 PolarHBondContact ND2-CE1 3.09Å; N37-H130 PolarHBondContact ND2-ND1 3.39Å; Q128-H130 VanDerWaalsContact C-N 3.26Å; Q128-H130 PolarHBondContact O-N 3.44Å; H130-I134 WeakPolarHBondContact O-CB 3.32Å; H130-I134 WeakPolarHBondContact O-CD1 3.34Å; H130-I134 VanDerWaalsContact O-CG1 3.25Å; H130-I134 WeakPolarHBondContact O-CG1 3.48Å; H130-I134 PolarHBondContact O-N 2.92Å; H130-Y151 HydrophobicContact CB-CE2 4.01Å; H130-Y151 AromaticContact CD2-CD2 3.95Å; H130-Y151 AromaticContact CD2-CE2 3.57Å; H130-Y151 AromaticContact CD2-CZ 3.76Å; H130-T155 WeakPolarHBondContact NE2-CA 3.43Å; H130-T155 PolarHBondContact NE2-N 3.39Å; H130-T155 PolarHBondContact NE2-OG1 3.37Å
131V97.6Very high92.9Very high57 Ų5778.8 Ų78.835%0.34538%0.379SS..Hα-helixtrans-70.3-43.4179174.10000110Q128 P129 I134 K135Q128-V131 HydrophobicContact CB-CB 4.02Å; Q128-V131 HydrophobicContact CB-CG2 3.63Å; Q128-V131 HydrophobicContact CG-CG2 4.32Å; Q128-V131 PolarHBondContact O-N 2.94Å; P129-V131 VanDerWaalsContact C-N 3.28Å; P129-V131 PolarHBondContact O-N 3.44Å; V131-I134 PolarHBondContact O-N 3.15Å; V131-K135 HydrophobicContact CG1-CD 4.37Å; V131-K135 WeakPolarHBondContact O-CG 3.4Å; V131-K135 PolarHBondContact O-N 2.96Å
132L98.3Very high93.2Very high44 Ų4471.3 Ų71.323%0.2335%0.346CS..Hα-helixtrans-62.8-44.6175.6-59.7178.4000111.3Q128 P129 I134 K135 A136 A169 E170 A173Q128-L132 PolarHBondContact O-N 3.43Å; P129-L132 PolarHBondContact O-N 3.44Å; L132-I134 PolarHBondContact O-N 3.31Å; L132-K135 WeakPolarHBondContact O-CB 3.46Å; L132-K135 PolarHBondContact O-N 3.47Å; L132-A136 PolarHBondContact O-N 3.24Å; L132-A169 HydrophobicContact CD1-CB 3.74Å; L132-E170 HydrophobicContact CD1-CB 4.45Å; L132-E170 HydrophobicContact CD1-CG 3.89Å; L132-A173 HydrophobicContact CB-CB 4.08Å
133L98.5Very high93.7Very high0 Ų066.5 Ų66.50%033%0.33CS..Hα-helixtrans-58.1-49.6176.3-179.861000112P129 K135 A136 I137 S150 C154 A173 L177 F199P129-L133 WeakPolarHBondContact O-CB 3.08Å; P129-L133 PolarHBondContact O-N 3.09Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.25Å; L133-A136 PolarHBondContact O-N 2.98Å; L133-I137 HydrophobicContact CD1-CD1 3.9Å; L133-I137 HydrophobicContact CD1-CG1 4.25Å; L133-I137 HydrophobicContact CD2-CD1 4.49Å; L133-I137 HydrophobicContact CG-CD1 3.73Å; L133-I137 HydrophobicContact CG-CG1 4.5Å; L133-I137 WeakPolarHBondContact O-CB 3.35Å; L133-I137 WeakPolarHBondContact O-CD1 3.45Å; L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 2.78Å; L133-S150 WeakPolarHBondContact CD2-O 3.19Å; L133-C154 HydrophobicContact CD2-CB 3.8Å; L133-A173 HydrophobicContact CB-CB 4.11Å; L133-L177 HydrophobicContact CD1-CB 4.07Å; L133-F199 HydrophobicContact CD1-CZ 4.27Å
134I97.4Very high94Very high55 Ų5573.8 Ų73.828%0.28236%0.359SS..Hα-helixtrans-62.2-39.9178.5-71.7166.3000111.3H130 V131 L132 I137 R138 Y151H130-I134 WeakPolarHBondContact O-CB 3.32Å; H130-I134 WeakPolarHBondContact O-CD1 3.34Å; H130-I134 VanDerWaalsContact O-CG1 3.25Å; H130-I134 WeakPolarHBondContact O-CG1 3.48Å; H130-I134 PolarHBondContact O-N 2.92Å; V131-I134 PolarHBondContact O-N 3.15Å; L132-I134 PolarHBondContact O-N 3.31Å; I134-I137 PolarHBondContact O-N 2.84Å; I134-R138 HydrophobicContact CG2-CG 4.47Å; I134-R138 WeakPolarHBondContact O-CB 3.17Å; I134-R138 VanDerWaalsContact O-CG 3.3Å; I134-R138 WeakPolarHBondContact O-CG 3.33Å; I134-R138 PolarHBondContact O-N 2.84Å; I134-R138 VanDerWaalsContact O-N 3.07Å; I134-Y151 HydrophobicContact CD1-CD2 4.18Å; I134-Y151 HydrophobicContact CD1-CE2 3.84Å; I134-Y151 HydrophobicContact CG1-CD2 4.33Å; I134-Y151 HydrophobicContact CG1-CE2 4.47Å
135K97.4Very high94.3Very high135 Ų13577.4 Ų77.459%0.58738%0.375SS*.Hα-helixtrans-60.8-48.2175.9-75.1175.7180-178.70111V131 L132 L133 R138 A139V131-K135 HydrophobicContact CG1-CD 4.37Å; V131-K135 WeakPolarHBondContact O-CG 3.4Å; V131-K135 PolarHBondContact O-N 2.96Å; L132-K135 WeakPolarHBondContact O-CB 3.46Å; L132-K135 PolarHBondContact O-N 3.47Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.25Å; K135-R138 PolarHBondContact O-N 3.32Å; K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3Å
136A95.8Very high94.6Very high7 Ų769.7 Ų69.76%0.05834%0.339CS..Hα-helixtrans-61.9-45.517800000112.3L132 L133 R138 A139 N140 I198 F199L132-A136 PolarHBondContact O-N 3.24Å; L133-A136 PolarHBondContact O-N 2.98Å; A136-R138 VanDerWaalsContact C-N 3.31Å; A136-R138 PolarHBondContact O-N 3.45Å; A136-A139 PolarHBondContact O-N 3.48Å; A136-N140 WeakPolarHBondContact O-CB 3.21Å; A136-N140 PolarHBondContact O-N 2.97Å; A136-N140 VanDerWaalsContact O-N 3.09Å; A136-N140 PolarHBondContact O-ND2 3.37Å; A136-I198 HydrophobicContact CB-CG2 3.71Å; A136-F199 HydrophobicContact CB-CD1 4.27Å; A136-F199 HydrophobicContact CB-CE1 3.47Å; A136-F199 VanDerWaalsContact CB-CE1 3.47Å; A136-F199 HydrophobicContact CB-CE2 4.34Å; A136-F199 HydrophobicContact CB-CZ 3.53Å
137I95.2Very high95Very high19 Ų1970 Ų7010%0.09734%0.343CS..Hα-helixtrans-54.8-48176.6-73.7162.4000111.1L133 I134 K141 F142 A147L133-I137 HydrophobicContact CD1-CD1 3.9Å; L133-I137 HydrophobicContact CD1-CG1 4.25Å; L133-I137 HydrophobicContact CD2-CD1 4.49Å; L133-I137 HydrophobicContact CG-CD1 3.73Å; L133-I137 HydrophobicContact CG-CG1 4.5Å; L133-I137 WeakPolarHBondContact O-CB 3.35Å; L133-I137 WeakPolarHBondContact O-CD1 3.45Å; L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 2.78Å; I134-I137 PolarHBondContact O-N 2.84Å; I137-K141 WeakPolarHBondContact O-CA 3.41Å; I137-K141 PolarHBondContact O-N 3.38Å; I137-F142 HydrophobicContact CG2-CB 4.28Å; I137-F142 PolarHBondContact O-N 2.88Å; I137-F142 VanDerWaalsContact O-N 3.08Å; I137-A147 HydrophobicContact CD1-CB 3.94Å; I137-A147 HydrophobicContact CG1-CB 4.38Å; I137-A147 HydrophobicContact CG2-CB 3.6Å
138R95.3Very high95.2Very high193 Ų19368 Ų6873%0.72834%0.336SS*.Hα-helixtrans-70.3-45.2-177.3-71.3175.2179.7-178.50.7112.4I134 K135 A136 N140 K141I134-R138 HydrophobicContact CG2-CG 4.47Å; I134-R138 WeakPolarHBondContact O-CB 3.17Å; I134-R138 VanDerWaalsContact O-CG 3.3Å; I134-R138 WeakPolarHBondContact O-CG 3.33Å; I134-R138 PolarHBondContact O-N 2.84Å; I134-R138 VanDerWaalsContact O-N 3.07Å; K135-R138 PolarHBondContact O-N 3.32Å; A136-R138 VanDerWaalsContact C-N 3.31Å; A136-R138 PolarHBondContact O-N 3.45Å; R138-N140 VanDerWaalsContact C-N 3.29Å; R138-N140 PolarHBondContact O-N 3.17Å; R138-K141 PolarHBondContact O-N 3.02Å
139A93.6Very high95.3Very high79 Ų7967.5 Ų67.565%0.65333%0.334SS*.Hα-helixtrans-63.2-37-178.100000112.3K135 A136K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3Å; A136-A139 PolarHBondContact O-N 3.48Å
140N91.7Very high95.3Very high76 Ų7667 Ų6741%0.40633%0.331SS..THydrogen-bonded Turntrans-100.74.9-176.6-59.4-83.5000113.3A136 R138 F142 I198A136-N140 WeakPolarHBondContact O-CB 3.21Å; A136-N140 PolarHBondContact O-N 2.97Å; A136-N140 VanDerWaalsContact O-N 3.09Å; A136-N140 PolarHBondContact O-ND2 3.37Å; R138-N140 VanDerWaalsContact C-N 3.29Å; R138-N140 PolarHBondContact O-N 3.17Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 HydrophobicContact CB-CD2 3.73Å; N140-F142 HydrophobicContact CB-CE2 3.51Å; N140-F142 HydrophobicContact CB-CZ 4.41Å; N140-F142 PolarHBondContact O-N 2.92Å; N140-I198 WeakPolarHBondContact ND2-CG2 3.06Å
141K91.9Very high95.2Very high189 Ų18970 Ų7082%0.82234%0.342SS*.THydrogen-bonded Turntrans53.442.5177-55.9178.4-179176.10113.6I137 R138I137-K141 WeakPolarHBondContact O-CA 3.41Å; I137-K141 PolarHBondContact O-N 3.38Å; R138-K141 PolarHBondContact O-N 3.02Å
142F91.9Very high95.2Very high37 Ų3769 Ų6916%0.16233%0.333CS..  trans-60.4145177.5-80.3-80.6000111.8I137 N140 I146 L177 I188I137-F142 HydrophobicContact CG2-CB 4.28Å; I137-F142 PolarHBondContact O-N 2.88Å; I137-F142 VanDerWaalsContact O-N 3.08Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 HydrophobicContact CB-CD2 3.73Å; N140-F142 HydrophobicContact CB-CE2 3.51Å; N140-F142 HydrophobicContact CB-CZ 4.41Å; N140-F142 PolarHBondContact O-N 2.92Å; F142-I146 HydrophobicContact CD1-CG2 4.3Å; F142-L177 HydrophobicContact CD1-CD1 4.42Å; F142-L177 HydrophobicContact CE1-CD1 4.45Å; F142-L177 HydrophobicContact CE1-CD2 4.36Å; F142-L177 HydrophobicContact CE2-CD2 3.89Å; F142-L177 HydrophobicContact CZ-CD2 3.77Å; F142-I188 HydrophobicContact CE1-CG2 3.95Å; F142-I188 HydrophobicContact CZ-CG2 3.78Å
143P92.9Very high95.1Very high76 Ų7666.9 Ų66.949%0.49432%0.322SS..  trans-54.4149.8176.4-25.432.8000113.2E145 I146 A147P143-E145 VanDerWaalsContact C-N 3.27Å; P143-E145 PolarHBondContact O-N 3.09Å; P143-I146 HydrophobicContact CB-CG1 4.49Å; P143-I146 HydrophobicContact CG-CD1 4.18Å; P143-I146 PolarHBondContact O-N 3.08Å; P143-A147 PolarHBondContact O-N 3.41Å
144K92.8Very high95.1Very high181 Ų18166.9 Ų66.979%0.78732%0.322SS*.Hα-helixtrans-56.4-39.1-179.4-71.2-175.7-179.2177.80112.9A147 H148K144-A147 WeakPolarHBondContact O-CB 3.35Å; K144-A147 PolarHBondContact O-N 3.15Å; K144-H148 WeakPolarHBondContact O-CB 3.29Å; K144-H148 PolarHBondContact O-N 3.27Å
145E93.6Very high95.2Very high124 Ų12464.3 Ų64.358%0.57931%0.308SS*.Hα-helixtrans-63.1-48.9179.1-57.6-48.114400111.6P143 A147 H148 T149P143-E145 VanDerWaalsContact C-N 3.27Å; P143-E145 PolarHBondContact O-N 3.09Å; E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 3.15Å; E145-H148 PolarHBondContact O-N 3.21Å; E145-T149 PolarHBondContact O-N 2.94Å; E145-T149 PolarHBondContact O-OG1 3.29Å
146I94.6Very high95.2Very high6 Ų657.9 Ų57.93%0.03128%0.28CS..Hα-helixtrans-61.4-39.7176.1-61.3-177.2000110.8F142 P143 S150 L177 T186F142-I146 HydrophobicContact CD1-CG2 4.3Å; P143-I146 HydrophobicContact CB-CG1 4.49Å; P143-I146 HydrophobicContact CG-CD1 4.18Å; P143-I146 PolarHBondContact O-N 3.08Å; I146-S150 WeakPolarHBondContact O-CB 3.35Å; I146-S150 PolarHBondContact O-N 3.2Å; I146-S150 PolarHBondContact O-OG 2.7Å; I146-L177 HydrophobicContact CG2-CD1 3.61Å; I146-T186 HydrophobicContact CD1-CG2 3.75Å
147A95.3Very high95.4Very high22 Ų2257.6 Ų57.618%0.18228%0.278CS..Hα-helixtrans-62.1-43.8176.600000112.3I137 P143 K144 E145 S150 Y151I137-A147 HydrophobicContact CD1-CB 3.94Å; I137-A147 HydrophobicContact CG1-CB 4.38Å; I137-A147 HydrophobicContact CG2-CB 3.6Å; P143-A147 PolarHBondContact O-N 3.41Å; K144-A147 WeakPolarHBondContact O-CB 3.35Å; K144-A147 PolarHBondContact O-N 3.15Å; E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 3.15Å; A147-S150 PolarHBondContact O-OG 3.08Å; A147-S150 VanDerWaalsContact O-OG 3.09Å; A147-Y151 WeakPolarHBondContact O-CB 3.5Å; A147-Y151 PolarHBondContact O-N 3.27Å; A147-Y151 VanDerWaalsContact O-N 3.12Å
148H94.7Very high95.5Very high99 Ų9957 Ų5746%0.45828%0.275SS..Hα-helixtrans-69.1-48179.1-173.6-115.9000111.6K144 E145 S150 Y151 Y152K144-H148 WeakPolarHBondContact O-CB 3.29Å; K144-H148 PolarHBondContact O-N 3.27Å; E145-H148 PolarHBondContact O-N 3.21Å; H148-S150 PolarHBondContact O-N 3.49Å; H148-Y151 PolarHBondContact O-N 3.32Å; H148-Y152 WeakPolarHBondContact O-CB 3.25Å; H148-Y152 PolarHBondContact O-N 2.89Å
149T96.4Very high95.6Very high3 Ų347.8 Ų47.82%0.01824%0.24CC..Hα-helixtrans-62.5-43.4178.1-51.40000111.4E145 Y151 Y152 V153 A180 W183 N184E145-T149 PolarHBondContact O-N 2.94Å; E145-T149 PolarHBondContact O-OG1 3.29Å; T149-Y151 PolarHBondContact O-N 3.25Å; T149-Y152 WeakPolarHBondContact O-CB 3.46Å; T149-Y152 PolarHBondContact O-N 3.46Å; T149-V153 HydrophobicContact CG2-CG2 4.43Å; T149-V153 VanDerWaalsContact O-CG2 3.29Å; T149-V153 WeakPolarHBondContact O-CG2 3.37Å; T149-V153 PolarHBondContact O-N 3.47Å; T149-A180 HydrophobicContact CG2-CB 3.73Å; T149-W183 HydrophobicContact CG2-CB 4.45Å; T149-W183 HydrophobicContact CG2-CE3 3.74Å; T149-W183 HydrophobicContact CG2-CZ3 4.46Å; T149-N184 WeakPolarHBondContact CB-ND2 3.3Å; T149-N184 PolarHBondContact OG1-ND2 2.99Å; T149-N184 VanDerWaalsContact OG1-ND2 3.09Å
150S98Very high95.8Very high0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-66.5-39.1179.957.70000112.2L133 I146 A147 H148 Y152 V153 C154 A180L133-S150 WeakPolarHBondContact CD2-O 3.19Å; I146-S150 WeakPolarHBondContact O-CB 3.35Å; I146-S150 PolarHBondContact O-N 3.2Å; I146-S150 PolarHBondContact O-OG 2.7Å; A147-S150 PolarHBondContact O-OG 3.08Å; A147-S150 VanDerWaalsContact O-OG 3.09Å; H148-S150 PolarHBondContact O-N 3.49Å; S150-Y152 VanDerWaalsContact C-N 3.33Å; S150-V153 PolarHBondContact O-N 3.17Å; S150-C154 VanDerWaalsContact O-CB 3.28Å; S150-C154 WeakPolarHBondContact O-CB 3.45Å; S150-C154 PolarHBondContact O-N 3.03Å; S150-A180 VanDerWaalsContact N-CB 3.33Å
151Y97.1Very high96.1Very high69 Ų6940.4 Ų40.427%0.27119%0.19SC..Hα-helixtrans-64.2-40.5174.1-169.9-88.1000112Q33 H130 I134 A147 H148 T149 C154 T155Q33-Y151 WeakPolarHBondContact CG-OH 3.46Å; H130-Y151 HydrophobicContact CB-CE2 4.01Å; H130-Y151 AromaticContact CD2-CD2 3.95Å; H130-Y151 AromaticContact CD2-CE2 3.57Å; H130-Y151 AromaticContact CD2-CZ 3.76Å; I134-Y151 HydrophobicContact CD1-CD2 4.18Å; I134-Y151 HydrophobicContact CD1-CE2 3.84Å; I134-Y151 HydrophobicContact CG1-CD2 4.33Å; I134-Y151 HydrophobicContact CG1-CE2 4.47Å; A147-Y151 WeakPolarHBondContact O-CB 3.5Å; A147-Y151 PolarHBondContact O-N 3.27Å; A147-Y151 VanDerWaalsContact O-N 3.12Å; H148-Y151 PolarHBondContact O-N 3.32Å; T149-Y151 PolarHBondContact O-N 3.25Å; Y151-C154 PolarHBondContact O-N 2.85Å; Y151-T155 WeakPolarHBondContact O-CB 3.43Å; Y151-T155 PolarHBondContact O-N 3.22Å; Y151-T155 PolarHBondContact O-OG1 2.9Å
152Y96Very high96.4Very high35 Ų3533.1 Ų33.114%0.13716%0.161CC..Hα-helixtrans-61-48.4174.2174.4-100.9000111.4H148 T149 S150 C154 T155 N156 W183H148-Y152 WeakPolarHBondContact O-CB 3.25Å; H148-Y152 PolarHBondContact O-N 2.89Å; T149-Y152 WeakPolarHBondContact O-CB 3.46Å; T149-Y152 PolarHBondContact O-N 3.46Å; S150-Y152 VanDerWaalsContact C-N 3.33Å; Y152-C154 PolarHBondContact O-N 3.05Å; Y152-T155 WeakPolarHBondContact O-CB 3.27Å; Y152-T155 PolarHBondContact O-N 3.15Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.48Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.38Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.47Å; Y152-N156 PolarHBondContact O-N 3.27Å; Y152-N156 PolarHBondContact O-ND2 3.45Å; Y152-W183 HydrophobicContact CD1-CZ3 4.27Å; Y152-W183 HydrophobicContact CE1-CZ3 4.28Å
153V97.8Very high96.7Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-59.1-47.4175.9172.40000110.8T149 S150 T155 N156 I157 I179 W183 F215T149-V153 HydrophobicContact CG2-CG2 4.43Å; T149-V153 VanDerWaalsContact O-CG2 3.29Å; T149-V153 WeakPolarHBondContact O-CG2 3.37Å; T149-V153 PolarHBondContact O-N 3.47Å; S150-V153 PolarHBondContact O-N 3.17Å; V153-T155 VanDerWaalsContact C-N 3.26Å; V153-T155 PolarHBondContact O-N 2.96Å; V153-N156 CarbonylContact O-C 3.57Å; V153-N156 PolarHBondContact O-N 3.43Å; V153-I157 HydrophobicContact CG1-CD1 3.89Å; V153-I157 HydrophobicContact CG1-CG1 4.28Å; V153-I157 WeakPolarHBondContact O-CG1 3.48Å; V153-I157 PolarHBondContact O-N 3.06Å; V153-I179 HydrophobicContact CB-CG2 4.43Å; V153-I179 HydrophobicContact CG1-CB 3.93Å; V153-I179 HydrophobicContact CG1-CD1 3.62Å; V153-I179 HydrophobicContact CG1-CG1 4.39Å; V153-I179 HydrophobicContact CG1-CG2 3.88Å; V153-I179 HydrophobicContact CG2-CB 4.29Å; V153-I179 HydrophobicContact CG2-CG2 3.65Å; V153-W183 HydrophobicContact CG2-CE3 3.94Å; V153-W183 HydrophobicContact CG2-CH2 3.86Å; V153-W183 HydrophobicContact CG2-CZ3 3.52Å; V153-F215 HydrophobicContact CG1-CD1 4.41Å; V153-F215 HydrophobicContact CG1-CE1 3.92Å; V153-F215 HydrophobicContact CG1-CZ 4.12Å
154C98.7Very high96.9Very high0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-58.2-40.7179.4-163.50000112.1L133 S150 Y151 Y152 I157 L158 S176L133-C154 HydrophobicContact CD2-CB 3.8Å; S150-C154 VanDerWaalsContact O-CB 3.28Å; S150-C154 WeakPolarHBondContact O-CB 3.45Å; S150-C154 PolarHBondContact O-N 3.03Å; Y151-C154 PolarHBondContact O-N 2.85Å; Y152-C154 PolarHBondContact O-N 3.05Å; C154-I157 PolarHBondContact O-N 2.85Å; C154-L158 PolarHBondContact O-N 2.97Å; C154-L158 VanDerWaalsContact O-N 3.14Å; C154-S176 WeakPolarHBondContact CA-OG 3.16Å; C154-S176 VanDerWaalsContact CB-OG 3.28Å; C154-S176 WeakPolarHBondContact CB-OG 3.4Å
155T98.1Very high97Very high1 Ų120.8 Ų20.81%0.00610%0.101CC..Hα-helixtrans-65.4-41.3175.2-55.90000111.8H130 Y151 Y152 V153 L158 H159 L234H130-T155 WeakPolarHBondContact NE2-CA 3.43Å; H130-T155 PolarHBondContact NE2-N 3.39Å; H130-T155 PolarHBondContact NE2-OG1 3.37Å; Y151-T155 WeakPolarHBondContact O-CB 3.43Å; Y151-T155 PolarHBondContact O-N 3.22Å; Y151-T155 PolarHBondContact O-OG1 2.9Å; Y152-T155 WeakPolarHBondContact O-CB 3.27Å; Y152-T155 PolarHBondContact O-N 3.15Å; V153-T155 VanDerWaalsContact C-N 3.26Å; V153-T155 PolarHBondContact O-N 2.96Å; T155-L158 PolarHBondContact O-N 2.83Å; T155-H159 WeakPolarHBondContact CG2-NE2 3.44Å; T155-H159 WeakPolarHBondContact O-CB 3.46Å; T155-H159 PolarHBondContact O-CD2 2.78Å; T155-H159 VanDerWaalsContact O-CG 3.28Å; T155-H159 PolarHBondContact O-N 3.44Å; T155-L234 HydrophobicContact CG2-CD1 3.88Å; T155-L234 HydrophobicContact CG2-CD2 4.15Å
156N98.2Very high97.1Very high0 Ų020.7 Ų20.70%010%0.096CC..Hα-helixtrans-70.2-35.6176.7-78.9-87.5000112.5Y152 V153 L158 H159 L160 F215 F219Y152-N156 WeakPolarHBondContact CD2-ND2 3.48Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.38Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.47Å; Y152-N156 PolarHBondContact O-N 3.27Å; Y152-N156 PolarHBondContact O-ND2 3.45Å; V153-N156 CarbonylContact O-C 3.57Å; V153-N156 PolarHBondContact O-N 3.43Å; N156-L158 VanDerWaalsContact C-N 3.33Å; N156-L158 PolarHBondContact O-N 3.12Å; N156-H159 PolarHBondContact O-N 2.81Å; N156-L160 HydrophobicContact CB-CD1 4.09Å; N156-L160 HydrophobicContact CB-CG 4.46Å; N156-L160 WeakPolarHBondContact O-CA 3.46Å; N156-L160 WeakPolarHBondContact O-CB 3.28Å; N156-L160 WeakPolarHBondContact O-CG 3.38Å; N156-L160 PolarHBondContact O-N 3.41Å; N156-L160 VanDerWaalsContact OD1-CD1 3.25Å; N156-L160 WeakPolarHBondContact OD1-CD1 3.38Å; N156-F215 HydrophobicContact CB-CE2 3.8Å; N156-F215 HydrophobicContact CB-CZ 3.97Å; N156-F219 HydrophobicContact CB-CD2 4.41Å; N156-F219 HydrophobicContact CB-CE2 4.34Å
157I98.7Very high97.3Very high0 Ų021.6 Ų21.60%010%0.099CC..Hα-helixtrans-58.9-48.7173.1-71.7169.8000109.8V153 C154 H159 T161 L163 I172 I179 F215V153-I157 HydrophobicContact CG1-CD1 3.89Å; V153-I157 HydrophobicContact CG1-CG1 4.28Å; V153-I157 WeakPolarHBondContact O-CG1 3.48Å; V153-I157 PolarHBondContact O-N 3.06Å; C154-I157 PolarHBondContact O-N 2.85Å; I157-H159 PolarHBondContact O-N 3.05Å; I157-T161 WeakPolarHBondContact O-CB 3.32Å; I157-T161 PolarHBondContact O-N 2.95Å; I157-T161 PolarHBondContact O-OG1 3.46Å; I157-L163 HydrophobicContact CG2-CB 4.08Å; I157-L163 HydrophobicContact CG2-CD1 4.03Å; I157-I172 HydrophobicContact CB-CG2 4.47Å; I157-I172 HydrophobicContact CD1-CG2 4.42Å; I157-I172 HydrophobicContact CG2-CD1 4.03Å; I157-I172 HydrophobicContact CG2-CG2 3.83Å; I157-I179 HydrophobicContact CD1-CD1 4.31Å; I157-F215 HydrophobicContact CB-CD2 4.33Å; I157-F215 HydrophobicContact CD1-CD2 4.39Å; I157-F215 HydrophobicContact CD1-CG 4.41Å; I157-F215 HydrophobicContact CG1-CB 4.27Å; I157-F215 HydrophobicContact CG1-CD2 3.34Å; I157-F215 HydrophobicContact CG1-CE2 3.75Å; I157-F215 HydrophobicContact CG1-CG 3.8Å
158L98.5Very high97.4Very high6 Ų623 Ų233%0.03111%0.108CC..Hα-helixtrans-63.8-38.4179.2178.861.9000112.5N37 I40 H44 C154 T155 N156 V164N37-L158 HydrophobicContact CB-CD2 3.63Å; I40-L158 HydrophobicContact CB-CG 4.43Å; I40-L158 HydrophobicContact CG2-CD1 4.08Å; I40-L158 HydrophobicContact CG2-CG 3.91Å; H44-L158 PolarHBondContact CD2-O 3.04Å; H44-L158 PolarHBondContact NE2-O 3.18Å; C154-L158 PolarHBondContact O-N 2.97Å; C154-L158 VanDerWaalsContact O-N 3.14Å; T155-L158 PolarHBondContact O-N 2.83Å; N156-L158 VanDerWaalsContact C-N 3.33Å; N156-L158 PolarHBondContact O-N 3.12Å; L158-V164 HydrophobicContact CD1-CG1 3.92Å; L158-V164 HydrophobicContact CD1-CG2 4.29Å
159H98.2Very high97.5Very high0 Ų018.9 Ų18.90%09%0.091CC..Hα-helixtrans-87.4-33.4-174.7-67.4-13.8000114.1A19 Q23 I40 T155 N156 I157 L230A19-H159 HydrophobicContact CB-CB 4.21Å; Q23-H159 PolarHBondContact OE1-NE2 3.25Å; I40-H159 WeakPolarHBondContact CD1-CE1 3.5Å; I40-H159 VanDerWaalsContact CD1-ND1 3.28Å; I40-H159 WeakPolarHBondContact CD1-ND1 3.35Å; T155-H159 WeakPolarHBondContact CG2-NE2 3.44Å; T155-H159 WeakPolarHBondContact O-CB 3.46Å; T155-H159 PolarHBondContact O-CD2 2.78Å; T155-H159 VanDerWaalsContact O-CG 3.28Å; T155-H159 PolarHBondContact O-N 3.44Å; N156-H159 PolarHBondContact O-N 2.81Å; I157-H159 PolarHBondContact O-N 3.05Å; H159-L230 HydrophobicContact CB-CD2 4.02Å; H159-L230 WeakPolarHBondContact CD2-CD1 3.43Å
160L97.3Very high97.6Very high0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-102.8-16.8-166.2-55-175.9000114.1Q16 N156 T218 F219 I226 R227 L230Q16-L160 HydrophobicContact CG-CD2 4.23Å; Q16-L160 PolarHBondContact NE2-O 2.93Å; N156-L160 HydrophobicContact CB-CD1 4.09Å; N156-L160 HydrophobicContact CB-CG 4.46Å; N156-L160 WeakPolarHBondContact O-CA 3.46Å; N156-L160 WeakPolarHBondContact O-CB 3.28Å; N156-L160 WeakPolarHBondContact O-CG 3.38Å; N156-L160 PolarHBondContact O-N 3.41Å; N156-L160 VanDerWaalsContact OD1-CD1 3.25Å; N156-L160 WeakPolarHBondContact OD1-CD1 3.38Å; L160-T218 WeakPolarHBondContact O-CG2 3.5Å; L160-F219 HydrophobicContact CD1-CD2 3.75Å; L160-F219 HydrophobicContact CD1-CE2 4.03Å; L160-I226 HydrophobicContact CD2-CG2 3.98Å; L160-R227 HydrophobicContact CD1-CG 4.17Å; L160-L230 HydrophobicContact CD2-CD2 4.47Å
161T97.5Very high97.7Very high1 Ų120.6 Ų20.61%0.00610%0.099CC..  trans-123.9177.6-17381.80000111.6H44 I157 L163 F215 T218H44-T161 PolarHBondContact CE1-O 3.46Å; H44-T161 VanDerWaalsContact CE1-O 3.25Å; H44-T161 PolarHBondContact NE2-O 2.96Å; I157-T161 WeakPolarHBondContact O-CB 3.32Å; I157-T161 PolarHBondContact O-N 2.95Å; I157-T161 PolarHBondContact O-OG1 3.46Å; T161-L163 HydrophobicContact CG2-CD1 4.02Å; T161-L163 WeakPolarHBondContact OG1-CB 3.5Å; T161-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T161-L163 WeakPolarHBondContact OG1-CG 3.43Å; T161-L163 PolarHBondContact OG1-N 3Å; T161-L163 VanDerWaalsContact OG1-N 3.17Å; T161-F215 HydrophobicContact CG2-CD2 3.95Å; T161-T218 HydrophobicContact CG2-CG2 3.92Å
162T97.2Very high97.7Very high36 Ų3617.4 Ų17.422%0.2219%0.087CC..SBendtrans-11115.4168.958.10000112.3L12 V164 L165L12-T162 HydrophobicContact CD1-CG2 4.22Å; T162-V164 PolarHBondContact O-N 3.05Å; T162-V164 VanDerWaalsContact O-N 3.17Å; T162-L165 WeakPolarHBondContact O-CB 3.45Å; T162-L165 PolarHBondContact O-N 3.43Å
163L98.5Very high97.9Very high0 Ų015.8 Ų15.80%08%0.08CC..G310 helixtrans-57.8-32.7-175.7-75163000112.7I157 T161 L165 R166 H167 I172 I211 E214 F215I157-L163 HydrophobicContact CG2-CB 4.08Å; I157-L163 HydrophobicContact CG2-CD1 4.03Å; T161-L163 HydrophobicContact CG2-CD1 4.02Å; T161-L163 WeakPolarHBondContact OG1-CB 3.5Å; T161-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T161-L163 WeakPolarHBondContact OG1-CG 3.43Å; T161-L163 PolarHBondContact OG1-N 3Å; T161-L163 VanDerWaalsContact OG1-N 3.17Å; L163-L165 PolarHBondContact O-N 3.46Å; L163-L165 VanDerWaalsContact O-N 3.11Å; L163-R166 PolarHBondContact O-N 3.23Å; L163-H167 PolarHBondContact O-N 3.05Å; L163-I172 HydrophobicContact CB-CD1 3.81Å; L163-I211 HydrophobicContact CD1-CG2 3.96Å; L163-I211 HydrophobicContact CD2-CG1 4.5Å; L163-I211 HydrophobicContact CD2-CG2 4.32Å; L163-E214 HydrophobicContact CD2-CB 4.16Å; L163-E214 VanDerWaalsContact CD2-CD 3.41Å; L163-E214 HydrophobicContact CD2-CG 4.23Å; L163-E214 VanDerWaalsContact CD2-OE1 3.29Å; L163-E214 WeakPolarHBondContact CD2-OE1 3.47Å; L163-F215 HydrophobicContact CD1-CB 4.01Å
164V97.2Very high97.9Very high6 Ų615.8 Ų15.84%0.0368%0.08CC..G310 helixtrans-63.4-14.3178.6-59.20000114.4Y41 H44 L158 T162Y41-V164 HydrophobicContact CD2-CB 4.13Å; Y41-V164 HydrophobicContact CD2-CG2 4.13Å; Y41-V164 HydrophobicContact CE2-CB 4.04Å; Y41-V164 HydrophobicContact CE2-CG2 4.37Å; H44-V164 HydrophobicContact CB-CG2 4.28Å; L158-V164 HydrophobicContact CD1-CG1 3.92Å; L158-V164 HydrophobicContact CD1-CG2 4.29Å; T162-V164 PolarHBondContact O-N 3.05Å; T162-V164 VanDerWaalsContact O-N 3.17Å
165L96Very high97.9Very high28 Ų2815.8 Ų15.815%0.1478%0.08CC..G310 helixtrans-82.4-24175-60.3-179000112.8H44 Y45 E48 T162 L163H44-L165 HydrophobicContact CB-CD2 3.95Å; H44-L165 HydrophobicContact CB-CG 4.35Å; Y45-L165 HydrophobicContact CD1-CD2 4.13Å; Y45-L165 HydrophobicContact CD2-CD2 3.44Å; Y45-L165 VanDerWaalsContact CD2-CD2 3.44Å; Y45-L165 HydrophobicContact CE1-CD2 4.21Å; Y45-L165 HydrophobicContact CE2-CD2 3.49Å; Y45-L165 VanDerWaalsContact CE2-CD2 3.49Å; Y45-L165 HydrophobicContact CG-CD2 3.77Å; E48-L165 HydrophobicContact CB-CD1 4.2Å; E48-L165 HydrophobicContact CG-CD1 4.34Å; T162-L165 WeakPolarHBondContact O-CB 3.45Å; T162-L165 PolarHBondContact O-N 3.43Å; L163-L165 PolarHBondContact O-N 3.46Å; L163-L165 VanDerWaalsContact O-N 3.11Å
166R96Very high97.9Very high123 Ų12315.7 Ų15.746%0.4648%0.08SC..THydrogen-bonded Turntrans-116.3-16.5-170.5-73.5179.8-75.2116.7-7.5114.2L163 E214L163-R166 PolarHBondContact O-N 3.23Å; R166-E214 IonicContact CZ-OE1 3.89Å; R166-E214 IonicContact CZ-OE2 3.2Å; R166-E214 IonicContact NH1-OE1 3.18Å; R166-E214 IonicContact NH1-OE2 3.46Å; R166-E214 PolarHBondContact NH1-OE2 3.33Å; R166-E214 VanDerWaalsContact NH2-CD 3.3Å; R166-E214 IonicContact NH2-OE1 3.48Å; R166-E214 PolarHBondContact NH2-OE1 3.17Å; R166-E214 IonicContact NH2-OE2 3.89Å; R166-E214 PolarHBondContact NH2-OE2 3.31Å
167H97.8Very high97.9Very high24 Ų2415.7 Ų15.711%0.1118%0.08CC..SBendtrans-123.9146.4-175-65-75.5000111.1L163 A171 I172 E207 I211L163-H167 PolarHBondContact O-N 3.05Å; H167-A171 HydrophobicContact CB-CB 4.37Å; H167-I172 HydrophobicContact CB-CD1 3.84Å; H167-I172 HydrophobicContact CB-CG1 4.23Å; H167-E207 IonicContact CE1-OE1 3.84Å; H167-E207 IonicContact CG-OE1 3.28Å; H167-E207 IonicContact ND1-OE1 2.91Å; H167-E207 PolarHBondContact ND1-OE1 3.49Å; H167-I211 HydrophobicContact CB-CD1 3.88Å; H167-I211 HydrophobicContact CB-CG1 4.4Å
168S97Very high97.9Very high53 Ų5317.2 Ų17.237%0.3719%0.086SC..  trans-64.1157176.865.80000111.8E170 A171 I172S168-E170 WeakPolarHBondContact CB-OE2 3.49Å; S168-E170 PolarHBondContact O-N 2.98Å; S168-A171 PolarHBondContact O-N 3.47Å; S168-A171 VanDerWaalsContact O-N 3.15Å; S168-A171 WeakPolarHBondContact OG-CB 3.43Å; S168-A171 PolarHBondContact OG-N 3.35Å; S168-A171 VanDerWaalsContact OG-N 3.16Å; S168-I172 WeakPolarHBondContact O-CG1 3.3Å; S168-I172 PolarHBondContact O-N 3.14Å
169A98.1Very high97.9Very high12 Ų1217 Ų1710%0.0998%0.084CC..Hα-helixtrans-62.3-33.3177.900000111.9K127 P129 L132 A173K127-A169 HydrophobicContact CB-CB 3.93Å; K127-A169 VanDerWaalsContact O-CB 3.28Å; K127-A169 WeakPolarHBondContact O-CB 3.23Å; P129-A169 HydrophobicContact CB-CB 4.49Å; P129-A169 HydrophobicContact CG-CB 3.95Å; L132-A169 HydrophobicContact CD1-CB 3.74Å; A169-A173 VanDerWaalsContact O-CB 3.32Å; A169-A173 WeakPolarHBondContact O-CB 3.49Å; A169-A173 PolarHBondContact O-N 3.49Å
170E98.3Very high97.8Very high39 Ų3917 Ų1718%0.1828%0.084CC..Hα-helixtrans-60.6-48.3173.8-64.178.9177.400110.8K127 L132 S168 A173 A174 F199K127-E170 IonicContact NZ-OE1 2.87Å; L132-E170 HydrophobicContact CD1-CB 4.45Å; L132-E170 HydrophobicContact CD1-CG 3.89Å; S168-E170 WeakPolarHBondContact CB-OE2 3.49Å; S168-E170 PolarHBondContact O-N 2.98Å; E170-A173 PolarHBondContact O-N 3.25Å; E170-A174 WeakPolarHBondContact O-CB 3.44Å; E170-A174 PolarHBondContact O-N 2.87Å; E170-F199 HydrophobicContact CB-CB 4.2Å; E170-F199 WeakPolarHBondContact CG-O 3.48Å
171A98.7Very high97.7Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-65.4-42178.300000112.3H167 S168 A173 A174 A175 L203 E207 I211H167-A171 HydrophobicContact CB-CB 4.37Å; S168-A171 PolarHBondContact O-N 3.47Å; S168-A171 VanDerWaalsContact O-N 3.15Å; S168-A171 WeakPolarHBondContact OG-CB 3.43Å; S168-A171 PolarHBondContact OG-N 3.35Å; S168-A171 VanDerWaalsContact OG-N 3.16Å; A171-A173 PolarHBondContact O-N 2.66Å; A171-A174 PolarHBondContact O-N 2.81Å; A171-A175 WeakPolarHBondContact O-CB 3.28Å; A171-A175 PolarHBondContact O-N 3.48Å; A171-L203 HydrophobicContact CB-CD1 3.61Å; A171-E207 HydrophobicContact CB-CG 4.39Å; A171-I211 HydrophobicContact CB-CD1 3.64Å
172I98.8Very high97.6Very high2 Ų221.9 Ų21.91%0.0111%0.106CC..Hα-helixtrans-62.6-43175.8-62.6-58.7000111.3P129 I157 L163 H167 S168 S176 I211P129-I172 HydrophobicContact CB-CB 4.02Å; P129-I172 HydrophobicContact CB-CG2 3.72Å; P129-I172 HydrophobicContact CG-CB 4.08Å; P129-I172 HydrophobicContact CG-CG2 3.91Å; I157-I172 HydrophobicContact CB-CG2 4.47Å; I157-I172 HydrophobicContact CD1-CG2 4.42Å; I157-I172 HydrophobicContact CG2-CD1 4.03Å; I157-I172 HydrophobicContact CG2-CG2 3.83Å; L163-I172 HydrophobicContact CB-CD1 3.81Å; H167-I172 HydrophobicContact CB-CD1 3.84Å; H167-I172 HydrophobicContact CB-CG1 4.23Å; S168-I172 WeakPolarHBondContact O-CG1 3.3Å; S168-I172 PolarHBondContact O-N 3.14Å; I172-S176 WeakPolarHBondContact O-CB 3.4Å; I172-S176 PolarHBondContact O-N 3.2Å; I172-S176 PolarHBondContact O-OG 3.37Å; I172-I211 HydrophobicContact CD1-CD1 4.38Å; I172-I211 HydrophobicContact CD1-CG2 4.11Å
173A98.8Very high97.5Very high0 Ų023.7 Ų23.70%011%0.109CC..Hα-helixtrans-64.7-43.717800000111.7P129 L132 L133 A169 E170 A171 S176 L177 F199P129-A173 HydrophobicContact CB-CB 4.49Å; L132-A173 HydrophobicContact CB-CB 4.08Å; L133-A173 HydrophobicContact CB-CB 4.11Å; A169-A173 VanDerWaalsContact O-CB 3.32Å; A169-A173 WeakPolarHBondContact O-CB 3.49Å; A169-A173 PolarHBondContact O-N 3.49Å; E170-A173 PolarHBondContact O-N 3.25Å; A171-A173 PolarHBondContact O-N 2.66Å; A173-S176 WeakPolarHBondContact O-CB 3.47Å; A173-S176 PolarHBondContact O-N 3.27Å; A173-L177 PolarHBondContact O-N 2.81Å; A173-L177 VanDerWaalsContact O-N 3.09Å; A173-F199 HydrophobicContact CB-CD1 3.68Å; A173-F199 HydrophobicContact CB-CE1 3.53Å; A173-F199 HydrophobicContact CB-CZ 4.36Å
174A98.5Very high97.1Very high0 Ų026.4 Ų26.40%012%0.124CC..Hα-helixtrans-62.1-47.5175.900000112.2E170 A171 S176 L177 Y178 W195 F199 L203 V208E170-A174 WeakPolarHBondContact O-CB 3.44Å; E170-A174 PolarHBondContact O-N 2.87Å; A171-A174 PolarHBondContact O-N 2.81Å; A174-S176 VanDerWaalsContact C-N 3.28Å; A174-S176 PolarHBondContact O-N 2.96Å; A174-L177 PolarHBondContact O-N 3.43Å; A174-Y178 WeakPolarHBondContact O-CB 3.36Å; A174-Y178 PolarHBondContact O-N 3.49Å; A174-W195 HydrophobicContact CB-CH2 4.31Å; A174-W195 HydrophobicContact CB-CZ3 4.22Å; A174-W195 WeakPolarHBondContact O-CH2 3.48Å; A174-F199 HydrophobicContact CB-CB 4.39Å; A174-F199 HydrophobicContact CB-CD2 3.5Å; A174-F199 HydrophobicContact CB-CE2 3.93Å; A174-F199 HydrophobicContact CB-CG 3.99Å; A174-L203 HydrophobicContact CB-CD2 3.44Å; A174-L203 VanDerWaalsContact CB-CD2 3.44Å; A174-V208 HydrophobicContact CB-CG2 4.04Å
175A98.8Very high96.8Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-60-39.7175.900000112.1A171 L177 Y178 I179 V208 I211A171-A175 WeakPolarHBondContact O-CB 3.28Å; A171-A175 PolarHBondContact O-N 3.48Å; A175-L177 VanDerWaalsContact C-N 3.33Å; A175-L177 PolarHBondContact O-N 2.97Å; A175-Y178 PolarHBondContact O-N 3.25Å; A175-I179 WeakPolarHBondContact O-CB 3.44Å; A175-I179 WeakPolarHBondContact O-CD1 3.25Å; A175-I179 VanDerWaalsContact O-CG1 3.26Å; A175-I179 WeakPolarHBondContact O-CG1 3.46Å; A175-I179 PolarHBondContact O-N 2.89Å; A175-V208 HydrophobicContact CB-CG1 4.45Å; A175-I211 HydrophobicContact CB-CB 3.83Å; A175-I211 HydrophobicContact CB-CD1 4.43Å; A175-I211 HydrophobicContact CB-CG2 3.42Å; A175-I211 VanDerWaalsContact CB-CG2 3.42Å
176S98.8Very high96.4Very high0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-60.9-42.2176.4-560000112.4C154 I172 A173 A174 A180C154-S176 WeakPolarHBondContact CA-OG 3.16Å; C154-S176 VanDerWaalsContact CB-OG 3.28Å; C154-S176 WeakPolarHBondContact CB-OG 3.4Å; I172-S176 WeakPolarHBondContact O-CB 3.4Å; I172-S176 PolarHBondContact O-N 3.2Å; I172-S176 PolarHBondContact O-OG 3.37Å; A173-S176 WeakPolarHBondContact O-CB 3.47Å; A173-S176 PolarHBondContact O-N 3.27Å; A174-S176 VanDerWaalsContact C-N 3.28Å; A174-S176 PolarHBondContact O-N 2.96Å; S176-A180 WeakPolarHBondContact O-CB 3.5Å; S176-A180 PolarHBondContact O-N 3.36Å
177L98.3Very high95.9Very high0 Ų031.6 Ų31.60%018%0.18CC..Hα-helixtrans-66.9-43.3175.5-175.364.6000111.6L133 F142 I146 A173 A174 A175 A180 A181 I188 W195 F199L133-L177 HydrophobicContact CD1-CB 4.07Å; F142-L177 HydrophobicContact CD1-CD1 4.42Å; F142-L177 HydrophobicContact CE1-CD1 4.45Å; F142-L177 HydrophobicContact CE1-CD2 4.36Å; F142-L177 HydrophobicContact CE2-CD2 3.89Å; F142-L177 HydrophobicContact CZ-CD2 3.77Å; I146-L177 HydrophobicContact CG2-CD1 3.61Å; A173-L177 PolarHBondContact O-N 2.81Å; A173-L177 VanDerWaalsContact O-N 3.09Å; A174-L177 PolarHBondContact O-N 3.43Å; A175-L177 VanDerWaalsContact C-N 3.33Å; A175-L177 PolarHBondContact O-N 2.97Å; L177-A180 WeakPolarHBondContact O-CB 3.28Å; L177-A180 PolarHBondContact O-N 2.89Å; L177-A181 WeakPolarHBondContact O-CB 3.21Å; L177-A181 PolarHBondContact O-N 3.3Å; L177-I188 HydrophobicContact CD2-CD1 4.16Å; L177-I188 HydrophobicContact CG-CD1 3.82Å; L177-W195 HydrophobicContact CD2-CE3 4.3Å; L177-W195 HydrophobicContact CD2-CZ3 4.16Å; L177-F199 HydrophobicContact CB-CE2 4.49Å; L177-F199 HydrophobicContact CB-CZ 4.36Å; L177-F199 HydrophobicContact CD2-CE2 3.9Å; L177-F199 HydrophobicContact CD2-CZ 4.02Å
178Y97.6Very high95.4Very high31 Ų3130.9 Ų30.912%0.12218%0.177CC..Hα-helixtrans-63.1-46.5179.6-178.5-129.1000113.2A174 A175 A180 A181 K182 W195 F205 V208 T212A174-Y178 WeakPolarHBondContact O-CB 3.36Å; A174-Y178 PolarHBondContact O-N 3.49Å; A175-Y178 PolarHBondContact O-N 3.25Å; Y178-A180 VanDerWaalsContact C-N 3.3Å; Y178-A180 PolarHBondContact O-N 2.93Å; Y178-A181 PolarHBondContact O-N 3.5Å; Y178-K182 HydrophobicContact CD1-CD 4.43Å; Y178-K182 HydrophobicContact CE1-CD 4.05Å; Y178-K182 VanDerWaalsContact CE1-NZ 3.28Å; Y178-K182 HydrophobicContact CE2-CD 4.18Å; Y178-K182 HydrophobicContact CE2-CG 4.29Å; Y178-K182 PolarHBondContact O-N 3.17Å; Y178-K182 WeakPolarHBondContact OH-CE 3.49Å; Y178-K182 PolarHBondContact OH-NZ 3.2Å; Y178-W195 AromaticContact CD2-CZ2 3.79Å; Y178-W195 HydrophobicContact CD2-CZ2 3.79Å; Y178-W195 HydrophobicContact CG-CH2 4.35Å; Y178-W195 AromaticContact CG-CZ2 3.99Å; Y178-W195 HydrophobicContact CG-CZ2 3.99Å; Y178-F205 HydrophobicContact CE1-CE2 4.32Å; Y178-F205 AromaticContact CE2-CE2 3.97Å; Y178-F205 HydrophobicContact CE2-CE2 3.97Å; Y178-F205 HydrophobicContact CE2-CZ 4.41Å; Y178-F205 AromaticContact CZ-CE2 3.69Å; Y178-F205 AromaticContact CZ-CZ 3.81Å; Y178-F205 WeakPolarHBondContact OH-CZ 3.46Å; Y178-V208 HydrophobicContact CD1-CG1 3.68Å; Y178-V208 HydrophobicContact CE1-CG1 4.37Å; Y178-V208 HydrophobicContact CG-CG1 3.97Å; Y178-T212 HydrophobicContact CD1-CG2 4.22Å; Y178-T212 WeakPolarHBondContact CD1-OG1 3.37Å; Y178-T212 HydrophobicContact CE1-CG2 4.31Å
179I98.2Very high94.6Very high1 Ų136.6 Ų36.61%0.00520%0.198CC..Hα-helixtrans-58.8-45.7174.8-69.7158.9000109.9V153 I157 A175 A181 K182 W183 T212 F215V153-I179 HydrophobicContact CB-CG2 4.43Å; V153-I179 HydrophobicContact CG1-CB 3.93Å; V153-I179 HydrophobicContact CG1-CD1 3.62Å; V153-I179 HydrophobicContact CG1-CG1 4.39Å; V153-I179 HydrophobicContact CG1-CG2 3.88Å; V153-I179 HydrophobicContact CG2-CB 4.29Å; V153-I179 HydrophobicContact CG2-CG2 3.65Å; I157-I179 HydrophobicContact CD1-CD1 4.31Å; A175-I179 WeakPolarHBondContact O-CB 3.44Å; A175-I179 WeakPolarHBondContact O-CD1 3.25Å; A175-I179 VanDerWaalsContact O-CG1 3.26Å; A175-I179 WeakPolarHBondContact O-CG1 3.46Å; A175-I179 PolarHBondContact O-N 2.89Å; I179-A181 PolarHBondContact O-N 3.35Å; I179-K182 PolarHBondContact O-N 3.05Å; I179-W183 HydrophobicContact CG2-CD2 3.78Å; I179-W183 HydrophobicContact CG2-CE3 4.34Å; I179-W183 HydrophobicContact CG2-CG 4.23Å; I179-W183 HydrophobicContact CG2-CH2 4.17Å; I179-W183 HydrophobicContact CG2-CZ2 3.58Å; I179-W183 WeakPolarHBondContact O-CB 3.4Å; I179-W183 VanDerWaalsContact O-CG 3.25Å; I179-W183 PolarHBondContact O-N 3.22Å; I179-T212 HydrophobicContact CD1-CG2 4.31Å; I179-T212 HydrophobicContact CG1-CG2 3.59Å; I179-F215 HydrophobicContact CD1-CB 4.29Å; I179-F215 HydrophobicContact CD1-CD1 3.44Å; I179-F215 VanDerWaalsContact CD1-CD1 3.44Å; I179-F215 HydrophobicContact CD1-CE1 4.06Å; I179-F215 HydrophobicContact CD1-CG 4.07Å; I179-F215 HydrophobicContact CG1-CD1 4.42Å; I179-F215 HydrophobicContact CG2-CE1 4.25Å
180A97.7Very high93.5Very high0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-62.1-43.6178.500000112.6T149 S150 S176 L177 Y178 W183 N184T149-A180 HydrophobicContact CG2-CB 3.73Å; S150-A180 VanDerWaalsContact N-CB 3.33Å; S176-A180 WeakPolarHBondContact O-CB 3.5Å; S176-A180 PolarHBondContact O-N 3.36Å; L177-A180 WeakPolarHBondContact O-CB 3.28Å; L177-A180 PolarHBondContact O-N 2.89Å; Y178-A180 VanDerWaalsContact C-N 3.3Å; Y178-A180 PolarHBondContact O-N 2.93Å; A180-W183 PolarHBondContact O-N 3.49Å; A180-N184 WeakPolarHBondContact O-CB 3.45Å; A180-N184 PolarHBondContact O-N 3.02Å; A180-N184 PolarHBondContact O-ND2 3.42Å
181A95.2Very high92.2Very high2 Ų242.2 Ų42.22%0.01724%0.241CC..Hα-helixtrans-60.2-46.9175.900000111.2L177 Y178 I179 W183 N184 G185 T186 I188L177-A181 WeakPolarHBondContact O-CB 3.21Å; L177-A181 PolarHBondContact O-N 3.3Å; Y178-A181 PolarHBondContact O-N 3.5Å; I179-A181 PolarHBondContact O-N 3.35Å; A181-W183 PolarHBondContact O-N 3.4Å; A181-N184 CarbonylContact O-C 3.46Å; A181-N184 PolarHBondContact O-N 3.04Å; A181-G185 PolarHBondContact O-N 3.21Å; A181-T186 CarbonylContact C-O 3.33Å; A181-T186 WeakPolarHBondContact CB-O 3.48Å; A181-T186 PolarHBondContact O-N 2.66Å; A181-I188 HydrophobicContact CB-CD1 3.7Å; A181-I188 HydrophobicContact CB-CG1 3.46Å; A181-I188 VanDerWaalsContact CB-CG1 3.46Å
182K94.7Very high90.8Very high103 Ų10347.9 Ų47.945%0.44827%0.271SS..Hα-helixtrans-58.1-45.1174.1-80.1-178.3160.7174.70113.1Y178 I179 N184 G185Y178-K182 HydrophobicContact CD1-CD 4.43Å; Y178-K182 HydrophobicContact CE1-CD 4.05Å; Y178-K182 VanDerWaalsContact CE1-NZ 3.28Å; Y178-K182 HydrophobicContact CE2-CD 4.18Å; Y178-K182 HydrophobicContact CE2-CG 4.29Å; Y178-K182 PolarHBondContact O-N 3.17Å; Y178-K182 WeakPolarHBondContact OH-CE 3.49Å; Y178-K182 PolarHBondContact OH-NZ 3.2Å; I179-K182 PolarHBondContact O-N 3.05Å; K182-N184 VanDerWaalsContact C-N 3.28Å; K182-N184 PolarHBondContact O-N 3.11Å; K182-G185 PolarHBondContact O-N 2.61Å
183W93.7Very high89.8Confident73 Ų7350.4 Ų50.428%0.27730%0.298SS..Hα-helixtrans-66.2-31179.4-73.16000112.7T149 Y152 V153 I179 A180 A181 F215 F219 L418T149-W183 HydrophobicContact CG2-CB 4.45Å; T149-W183 HydrophobicContact CG2-CE3 3.74Å; T149-W183 HydrophobicContact CG2-CZ3 4.46Å; Y152-W183 HydrophobicContact CD1-CZ3 4.27Å; Y152-W183 HydrophobicContact CE1-CZ3 4.28Å; V153-W183 HydrophobicContact CG2-CE3 3.94Å; V153-W183 HydrophobicContact CG2-CH2 3.86Å; V153-W183 HydrophobicContact CG2-CZ3 3.52Å; I179-W183 HydrophobicContact CG2-CD2 3.78Å; I179-W183 HydrophobicContact CG2-CE3 4.34Å; I179-W183 HydrophobicContact CG2-CG 4.23Å; I179-W183 HydrophobicContact CG2-CH2 4.17Å; I179-W183 HydrophobicContact CG2-CZ2 3.58Å; I179-W183 WeakPolarHBondContact O-CB 3.4Å; I179-W183 VanDerWaalsContact O-CG 3.25Å; I179-W183 PolarHBondContact O-N 3.22Å; A180-W183 PolarHBondContact O-N 3.49Å; A181-W183 PolarHBondContact O-N 3.4Å; W183-F215 AromaticContact CH2-CE1 3.99Å; W183-F215 HydrophobicContact CH2-CE1 3.99Å; W183-F215 HydrophobicContact CH2-CZ 4.37Å; W183-F215 AromaticContact CZ2-CE1 3.94Å; W183-F215 HydrophobicContact CZ2-CE1 3.94Å; W183-F219 HydrophobicContact CH2-CE1 4.4Å; W183-L418 HydrophobicContact CB-CD2 3.86Å; W183-L418 HydrophobicContact CD2-CD2 4.43Å; W183-L418 HydrophobicContact CE3-CD2 4.26Å; W183-L418 HydrophobicContact CG-CD1 4.44Å; W183-L418 HydrophobicContact CG-CD2 4.31Å
184N92.1Very high89.3Confident58 Ų5854.8 Ų54.831%0.3132%0.318SS..THydrogen-bonded Turntrans-92.76.1176.8-71.9-83.8000113.3T149 A180 A181 K182 T186T149-N184 WeakPolarHBondContact CB-ND2 3.3Å; T149-N184 PolarHBondContact OG1-ND2 2.99Å; T149-N184 VanDerWaalsContact OG1-ND2 3.09Å; A180-N184 WeakPolarHBondContact O-CB 3.45Å; A180-N184 PolarHBondContact O-N 3.02Å; A180-N184 PolarHBondContact O-ND2 3.42Å; A181-N184 CarbonylContact O-C 3.46Å; A181-N184 PolarHBondContact O-N 3.04Å; K182-N184 VanDerWaalsContact C-N 3.28Å; K182-N184 PolarHBondContact O-N 3.11Å; N184-T186 PolarHBondContact O-N 3.18Å; N184-T186 PolarHBondContact O-OG1 3.23Å
185G90.6Very high89Confident73 Ų7355.6 Ų55.675%0.75332%0.321SS*.THydrogen-bonded Turntrans60.625.8-178.500000114.3A181 K182A181-G185 PolarHBondContact O-N 3.21Å; K182-G185 PolarHBondContact O-N 2.61Å
186T87.1Confident88.8Confident65 Ų6556.5 Ų56.540%0.39933%0.325SS..  trans-105.3142.8179.6-51.60000109.9I146 A181 N184I146-T186 HydrophobicContact CD1-CG2 3.75Å; A181-T186 CarbonylContact C-O 3.33Å; A181-T186 WeakPolarHBondContact CB-O 3.48Å; A181-T186 PolarHBondContact O-N 2.66Å; N184-T186 PolarHBondContact O-N 3.18Å; N184-T186 PolarHBondContact O-OG1 3.23Å
187D86.3Confident88.7Confident127 Ų12759.9 Ų59.968%0.67934%0.341SS*.  trans-95.1139.6170-167.916.7000110.9Q189D187-Q189 PolarHBondContact O-N 2.85Å
188I87.3Confident88.5Confident10 Ų1062.6 Ų62.65%0.05135%0.354CS..  trans-87.897.2-179.5-53.7171.7000108F142 L177 A181 W195F142-I188 HydrophobicContact CE1-CG2 3.95Å; F142-I188 HydrophobicContact CZ-CG2 3.78Å; L177-I188 HydrophobicContact CD2-CD1 4.16Å; L177-I188 HydrophobicContact CG-CD1 3.82Å; A181-I188 HydrophobicContact CB-CD1 3.7Å; A181-I188 HydrophobicContact CB-CG1 3.46Å; A181-I188 VanDerWaalsContact CB-CG1 3.46Å; I188-W195 HydrophobicContact CB-CB 4.28Å; I188-W195 HydrophobicContact CB-CD2 3.85Å; I188-W195 HydrophobicContact CB-CE3 4.41Å; I188-W195 HydrophobicContact CB-CG 3.74Å; I188-W195 HydrophobicContact CD1-CD2 3.87Å; I188-W195 HydrophobicContact CD1-CE3 3.85Å; I188-W195 HydrophobicContact CD1-CH2 3.98Å; I188-W195 HydrophobicContact CD1-CZ2 3.92Å; I188-W195 HydrophobicContact CD1-CZ3 3.91Å; I188-W195 HydrophobicContact CG1-CD2 4.48Å; I188-W195 HydrophobicContact CG2-CB 3.53Å; I188-W195 HydrophobicContact CG2-CD2 3.6Å; I188-W195 HydrophobicContact CG2-CE3 3.85Å; I188-W195 HydrophobicContact CG2-CG 3.43Å; I188-W195 VanDerWaalsContact CG2-CG 3.43Å; I188-W195 VanDerWaalsContact O-CD1 3.31Å
189Q80.1Confident88.4Confident172 Ų17262.3 Ų62.380%0.80435%0.354SS*.  trans-75.2139.5176.9-62.2-177.9-19.300110.9D187D187-Q189 PolarHBondContact O-N 2.85Å
190S74.4Confident88.3Confident36 Ų3663.7 Ų63.725%0.25236%0.363SS..  trans-124.3140.9167.8-145.60000110.9N192 G193 W195S190-N192 VanDerWaalsContact C-N 3.28Å; S190-N192 PolarHBondContact O-N 3.37Å; S190-N192 PolarHBondContact OG-OD1 3.47Å; S190-G193 WeakPolarHBondContact CB-O 3.41Å; S190-W195 WeakPolarHBondContact OG-CA 3.32Å
191S71.1Confident88.1Confident134 Ų13468.5 Ų68.594%0.93740%0.395SS*.THydrogen-bonded Turntrans-73-21.3175.755.40000113.4
192N69.3Low88Confident119 Ų11976.1 Ų76.164%0.63643%0.432SS*.THydrogen-bonded Turntrans-113.520.5-173.561.5-12.6000113S190S190-N192 VanDerWaalsContact C-N 3.28Å; S190-N192 PolarHBondContact O-N 3.37Å; S190-N192 PolarHBondContact OG-OD1 3.47Å
193G76.4Confident88.1Confident55 Ų5571.4 Ų71.457%0.56741%0.412SS*.SBendtrans96-94.6-177.900000112.3S190 W195S190-G193 WeakPolarHBondContact CB-O 3.41Å; G193-W195 PolarHBondContact O-N 3.48Å
194E88.9Confident88.2Confident92 Ų9271.3 Ų71.343%0.4342%0.419SS..  trans-87.1104.3-167.4-57.8-62.4156.700112.5Y196 H197E194-Y196 HydrophobicContact CB-CD1 4.4Å; E194-Y196 HydrophobicContact CB-CD2 4.5Å; E194-Y196 HydrophobicContact CB-CE1 3.81Å; E194-Y196 HydrophobicContact CB-CE2 3.91Å; E194-Y196 HydrophobicContact CG-CE1 4.27Å; E194-Y196 HydrophobicContact CG-CE2 4.43Å; E194-Y196 WeakPolarHBondContact CG-OH 3.4Å; E194-Y196 PolarHBondContact O-N 3.39Å; E194-Y196 VanDerWaalsContact O-N 3.17Å; E194-Y196 WeakPolarHBondContact OE2-CE1 3.43Å; E194-Y196 PolarHBondContact OE2-OH 3.13Å; E194-H197 WeakPolarHBondContact O-CB 3.29Å; E194-H197 PolarHBondContact O-N 3.29Å; E194-H197 VanDerWaalsContact O-N 3.15Å
195W93.6Very high88.4Confident16 Ų1672.6 Ų72.66%0.06142%0.422CS..G310 helixtrans-60-28.7-175.365.9-96.2000114A174 L177 Y178 I188 S190 G193 H197 I198 F199 V208A174-W195 HydrophobicContact CB-CH2 4.31Å; A174-W195 HydrophobicContact CB-CZ3 4.22Å; A174-W195 WeakPolarHBondContact O-CH2 3.48Å; L177-W195 HydrophobicContact CD2-CE3 4.3Å; L177-W195 HydrophobicContact CD2-CZ3 4.16Å; Y178-W195 AromaticContact CD2-CZ2 3.79Å; Y178-W195 HydrophobicContact CD2-CZ2 3.79Å; Y178-W195 HydrophobicContact CG-CH2 4.35Å; Y178-W195 AromaticContact CG-CZ2 3.99Å; Y178-W195 HydrophobicContact CG-CZ2 3.99Å; I188-W195 HydrophobicContact CB-CB 4.28Å; I188-W195 HydrophobicContact CB-CD2 3.85Å; I188-W195 HydrophobicContact CB-CE3 4.41Å; I188-W195 HydrophobicContact CB-CG 3.74Å; I188-W195 HydrophobicContact CD1-CD2 3.87Å; I188-W195 HydrophobicContact CD1-CE3 3.85Å; I188-W195 HydrophobicContact CD1-CH2 3.98Å; I188-W195 HydrophobicContact CD1-CZ2 3.92Å; I188-W195 HydrophobicContact CD1-CZ3 3.91Å; I188-W195 HydrophobicContact CG1-CD2 4.48Å; I188-W195 HydrophobicContact CG2-CB 3.53Å; I188-W195 HydrophobicContact CG2-CD2 3.6Å; I188-W195 HydrophobicContact CG2-CE3 3.85Å; I188-W195 HydrophobicContact CG2-CG 3.43Å; I188-W195 VanDerWaalsContact CG2-CG 3.43Å; I188-W195 VanDerWaalsContact O-CD1 3.31Å; S190-W195 WeakPolarHBondContact OG-CA 3.32Å; G193-W195 PolarHBondContact O-N 3.48Å; W195-H197 PolarHBondContact O-N 2.98Å; W195-I198 VanDerWaalsContact O-CB 3.29Å; W195-I198 WeakPolarHBondContact O-CB 3.26Å; W195-I198 WeakPolarHBondContact O-CD1 3.49Å; W195-I198 WeakPolarHBondContact O-CG1 3.44Å; W195-I198 PolarHBondContact O-N 3.35Å; W195-I198 VanDerWaalsContact O-N 3.1Å; W195-F199 HydrophobicContact CZ3-CD2 4.5Å; W195-F199 HydrophobicContact CZ3-CE2 4.13Å; W195-V208 HydrophobicContact CH2-CG1 4.14Å; W195-V208 HydrophobicContact CZ2-CG1 4.29Å
196Y94.3Very high88.7Confident19 Ų1976.7 Ų76.78%0.07542%0.422CS..G310 helixtrans-70.4-15.1-177.849.1-96000112.7E194 I198 F199 L203 F205E194-Y196 HydrophobicContact CB-CD1 4.4Å; E194-Y196 HydrophobicContact CB-CD2 4.5Å; E194-Y196 HydrophobicContact CB-CE1 3.81Å; E194-Y196 HydrophobicContact CB-CE2 3.91Å; E194-Y196 HydrophobicContact CG-CE1 4.27Å; E194-Y196 HydrophobicContact CG-CE2 4.43Å; E194-Y196 WeakPolarHBondContact CG-OH 3.4Å; E194-Y196 PolarHBondContact O-N 3.39Å; E194-Y196 VanDerWaalsContact O-N 3.17Å; E194-Y196 WeakPolarHBondContact OE2-CE1 3.43Å; E194-Y196 PolarHBondContact OE2-OH 3.13Å; Y196-I198 PolarHBondContact O-N 3.37Å; Y196-F199 PolarHBondContact O-N 3.07Å; Y196-L203 HydrophobicContact CD2-CB 4.24Å; Y196-L203 HydrophobicContact CD2-CG 4.2Å; Y196-L203 WeakPolarHBondContact CD2-O 3.26Å; Y196-L203 WeakPolarHBondContact CE2-O 3.46Å; Y196-F205 HydrophobicContact CD1-CB 4.42Å; Y196-F205 HydrophobicContact CD1-CD2 4.35Å; Y196-F205 HydrophobicContact CE1-CB 3.64Å; Y196-F205 HydrophobicContact CE1-CD2 4.11Å; Y196-F205 HydrophobicContact CE1-CG 4.35Å
197H95.2Very high89.3Confident72 Ų7276.2 Ų76.233%0.33342%0.415SS..G310 helixtrans-68.3-8.1170.7-67.3-36000114.1E194 W195 F199 S200 P201 L203E194-H197 WeakPolarHBondContact O-CB 3.29Å; E194-H197 PolarHBondContact O-N 3.29Å; E194-H197 VanDerWaalsContact O-N 3.15Å; W195-H197 PolarHBondContact O-N 2.98Å; H197-F199 PolarHBondContact O-N 3.09Å; H197-S200 WeakPolarHBondContact CA-O 3.44Å; H197-S200 PolarHBondContact ND1-O 3.12Å; H197-P201 PolarHBondContact CE1-O 3.26Å; H197-P201 PolarHBondContact ND1-O 3.45Å; H197-L203 PolarHBondContact CE1-O 2.87Å
198I94.4Very high89.8Confident56 Ų5670.1 Ų70.129%0.28738%0.382SS..G310 helixtrans-56-32.4164.4-66.1165.5000110.9A136 N140 W195 Y196A136-I198 HydrophobicContact CB-CG2 3.71Å; N140-I198 WeakPolarHBondContact ND2-CG2 3.06Å; W195-I198 VanDerWaalsContact O-CB 3.29Å; W195-I198 WeakPolarHBondContact O-CB 3.26Å; W195-I198 WeakPolarHBondContact O-CD1 3.49Å; W195-I198 WeakPolarHBondContact O-CG1 3.44Å; W195-I198 PolarHBondContact O-N 3.35Å; W195-I198 VanDerWaalsContact O-N 3.1Å; Y196-I198 PolarHBondContact O-N 3.37Å
199F96Very high90.3Very high26 Ų2671.1 Ų71.111%0.11439%0.39CS..THydrogen-bonded Turntrans-93.1-43.8-178.6-63.4-82.4000112.8L133 A136 E170 A173 A174 L177 W195 Y196 H197 L203L133-F199 HydrophobicContact CD1-CZ 4.27Å; A136-F199 HydrophobicContact CB-CD1 4.27Å; A136-F199 HydrophobicContact CB-CE1 3.47Å; A136-F199 VanDerWaalsContact CB-CE1 3.47Å; A136-F199 HydrophobicContact CB-CE2 4.34Å; A136-F199 HydrophobicContact CB-CZ 3.53Å; E170-F199 HydrophobicContact CB-CB 4.2Å; E170-F199 WeakPolarHBondContact CG-O 3.48Å; A173-F199 HydrophobicContact CB-CD1 3.68Å; A173-F199 HydrophobicContact CB-CE1 3.53Å; A173-F199 HydrophobicContact CB-CZ 4.36Å; A174-F199 HydrophobicContact CB-CB 4.39Å; A174-F199 HydrophobicContact CB-CD2 3.5Å; A174-F199 HydrophobicContact CB-CE2 3.93Å; A174-F199 HydrophobicContact CB-CG 3.99Å; L177-F199 HydrophobicContact CB-CE2 4.49Å; L177-F199 HydrophobicContact CB-CZ 4.36Å; L177-F199 HydrophobicContact CD2-CE2 3.9Å; L177-F199 HydrophobicContact CD2-CZ 4.02Å; W195-F199 HydrophobicContact CZ3-CD2 4.5Å; W195-F199 HydrophobicContact CZ3-CE2 4.13Å; Y196-F199 PolarHBondContact O-N 3.07Å; H197-F199 PolarHBondContact O-N 3.09Å; F199-L203 HydrophobicContact CB-CD2 4.46Å
200S95.2Very high91.2Very high29 Ų2968.7 Ų68.720%0.20338%0.377CS..  trans-160.2136.2177.1173.40000111.8H197 M202 L203H197-S200 WeakPolarHBondContact CA-O 3.44Å; H197-S200 PolarHBondContact ND1-O 3.12Å; S200-M202 PolarHBondContact O-N 2.98Å; S200-M202 PolarHBondContact OG-N 3.42Å; S200-L203 WeakPolarHBondContact O-CB 3.34Å; S200-L203 PolarHBondContact O-N 3.29Å
201P93.8Very high92.4Very high101 Ų10167 Ų6766%0.65637%0.365SS*.THydrogen-bonded Turntrans-66.4-18.4174.928.8-35.4000113.2H197H197-P201 PolarHBondContact CE1-O 3.26Å; H197-P201 PolarHBondContact ND1-O 3.45Å
202M94.4Very high93.7Very high162 Ų16260.9 Ų60.980%0.79832%0.322SS*.THydrogen-bonded Turntrans-91.6-6.4-179.8-61.2-63.9156.300113.2S200S200-M202 PolarHBondContact O-N 2.98Å; S200-M202 PolarHBondContact OG-N 3.42Å
203L96.3Very high95Very high5 Ų559.3 Ų59.33%0.02631%0.313CS..  trans-74.9141.8-178.7-174.260.6000110.3A171 A174 Y196 H197 F199 S200 E207 V208A171-L203 HydrophobicContact CB-CD1 3.61Å; A174-L203 HydrophobicContact CB-CD2 3.44Å; A174-L203 VanDerWaalsContact CB-CD2 3.44Å; Y196-L203 HydrophobicContact CD2-CB 4.24Å; Y196-L203 HydrophobicContact CD2-CG 4.2Å; Y196-L203 WeakPolarHBondContact CD2-O 3.26Å; Y196-L203 WeakPolarHBondContact CE2-O 3.46Å; H197-L203 PolarHBondContact CE1-O 2.87Å; F199-L203 HydrophobicContact CB-CD2 4.46Å; S200-L203 WeakPolarHBondContact O-CB 3.34Å; S200-L203 PolarHBondContact O-N 3.29Å; L203-E207 HydrophobicContact CD1-CB 4.28Å; L203-E207 HydrophobicContact CD1-CG 4.32Å; L203-E207 WeakPolarHBondContact CD1-OE2 3.48Å; L203-V208 HydrophobicContact CD1-CG2 4.2Å; L203-V208 HydrophobicContact CD2-CG2 3.89Å; L203-V208 HydrophobicContact CG-CG2 4.02Å
204T96.3Very high96.1Very high70 Ų7059 Ų5943%0.42930%0.298SS..  trans-114.415317668.30000111E206 E207 V208T204-E206 PolarHBondContact O-N 2.87Å; T204-E207 PolarHBondContact O-N 3.46Å; T204-E207 PolarHBondContact OG1-N 3.25Å; T204-V208 PolarHBondContact O-N 2.81Å
205F95.4Very high96.5Very high86 Ų8654.7 Ų54.738%0.37728%0.277SS..Hα-helixtrans-60.6-33.9174.1-176.1-105.3000112.8Y178 Y196 E207 V208 S209Y178-F205 HydrophobicContact CE1-CE2 4.32Å; Y178-F205 AromaticContact CE2-CE2 3.97Å; Y178-F205 HydrophobicContact CE2-CE2 3.97Å; Y178-F205 HydrophobicContact CE2-CZ 4.41Å; Y178-F205 AromaticContact CZ-CE2 3.69Å; Y178-F205 AromaticContact CZ-CZ 3.81Å; Y178-F205 WeakPolarHBondContact OH-CZ 3.46Å; Y196-F205 HydrophobicContact CD1-CB 4.42Å; Y196-F205 HydrophobicContact CD1-CD2 4.35Å; Y196-F205 HydrophobicContact CE1-CB 3.64Å; Y196-F205 HydrophobicContact CE1-CD2 4.11Å; Y196-F205 HydrophobicContact CE1-CG 4.35Å; F205-E207 VanDerWaalsContact C-N 3.33Å; F205-E207 PolarHBondContact O-N 3.38Å; F205-V208 PolarHBondContact O-N 3.04Å; F205-S209 WeakPolarHBondContact O-CB 3.27Å; F205-S209 PolarHBondContact O-N 2.96Å
206E97.6Very high96.6Very high159 Ų15956 Ų5674%0.74329%0.287SS*.Hα-helixtrans-60-43.3177.3-172.9-176.6172.700111.5T204 S209 K210T204-E206 PolarHBondContact O-N 2.87Å; E206-S209 PolarHBondContact O-N 2.81Å; E206-K210 WeakPolarHBondContact O-CB 3.19Å; E206-K210 PolarHBondContact O-N 3.48Å
207E98.3Very high96.7Very high54 Ų5459.9 Ų59.925%0.25231%0.309SS..Hα-helixtrans-64-44.5176.2-174.7174.4-16700111.4H167 A171 L203 T204 F205 S209 K210 I211H167-E207 IonicContact CE1-OE1 3.84Å; H167-E207 IonicContact CG-OE1 3.28Å; H167-E207 IonicContact ND1-OE1 2.91Å; H167-E207 PolarHBondContact ND1-OE1 3.49Å; A171-E207 HydrophobicContact CB-CG 4.39Å; L203-E207 HydrophobicContact CD1-CB 4.28Å; L203-E207 HydrophobicContact CD1-CG 4.32Å; L203-E207 WeakPolarHBondContact CD1-OE2 3.48Å; T204-E207 PolarHBondContact O-N 3.46Å; T204-E207 PolarHBondContact OG1-N 3.25Å; F205-E207 VanDerWaalsContact C-N 3.33Å; F205-E207 PolarHBondContact O-N 3.38Å; E207-S209 VanDerWaalsContact C-N 3.33Å; E207-S209 PolarHBondContact O-N 3.03Å; E207-K210 PolarHBondContact O-N 2.96Å; E207-I211 HydrophobicContact CG-CD1 4.04Å; E207-I211 VanDerWaalsContact O-CG1 3.32Å; E207-I211 WeakPolarHBondContact O-CG1 3.38Å; E207-I211 PolarHBondContact O-N 3.43Å
208V98.3Very high96.7Very high0 Ų057.4 Ų57.40%030%0.299CS..Hα-helixtrans-60.3-43.1176.6174.70000111.3A174 A175 Y178 W195 L203 T204 F205 T212A174-V208 HydrophobicContact CB-CG2 4.04Å; A175-V208 HydrophobicContact CB-CG1 4.45Å; Y178-V208 HydrophobicContact CD1-CG1 3.68Å; Y178-V208 HydrophobicContact CE1-CG1 4.37Å; Y178-V208 HydrophobicContact CG-CG1 3.97Å; W195-V208 HydrophobicContact CH2-CG1 4.14Å; W195-V208 HydrophobicContact CZ2-CG1 4.29Å; L203-V208 HydrophobicContact CD1-CG2 4.2Å; L203-V208 HydrophobicContact CD2-CG2 3.89Å; L203-V208 HydrophobicContact CG-CG2 4.02Å; T204-V208 PolarHBondContact O-N 2.81Å; F205-V208 PolarHBondContact O-N 3.04Å; V208-T212 WeakPolarHBondContact O-CB 3.29Å; V208-T212 PolarHBondContact O-N 2.95Å; V208-T212 PolarHBondContact O-OG1 3.49Å
209S97.6Very high96.7Very high30 Ų3055.4 Ų55.421%0.2129%0.288CS..Hα-helixtrans-64.7-44.7177.1-163.20000111.2F205 E206 E207 I211 T212 D213F205-S209 WeakPolarHBondContact O-CB 3.27Å; F205-S209 PolarHBondContact O-N 2.96Å; E206-S209 PolarHBondContact O-N 2.81Å; E207-S209 VanDerWaalsContact C-N 3.33Å; E207-S209 PolarHBondContact O-N 3.03Å; S209-I211 PolarHBondContact O-N 3.26Å; S209-T212 WeakPolarHBondContact O-CA 3.49Å; S209-T212 VanDerWaalsContact O-CB 3.32Å; S209-T212 WeakPolarHBondContact O-CB 3.18Å; S209-T212 PolarHBondContact O-N 3.4Å; S209-T212 VanDerWaalsContact O-N 3.09Å; S209-D213 VanDerWaalsContact O-CG 3.25Å; S209-D213 PolarHBondContact O-N 3.43Å
210K98.4Very high96.5Very high122 Ų12260.3 Ų60.353%0.5331%0.311SS..Hα-helixtrans-59.4-46.6178.4-178.9179.6177.8179.50112.5E206 E207 T212 D213 E214E206-K210 WeakPolarHBondContact O-CB 3.19Å; E206-K210 PolarHBondContact O-N 3.48Å; E207-K210 PolarHBondContact O-N 2.96Å; K210-T212 VanDerWaalsContact C-N 3.27Å; K210-T212 PolarHBondContact O-N 3.25Å; K210-D213 PolarHBondContact O-N 3.5Å; K210-E214 WeakPolarHBondContact O-CB 3.4Å; K210-E214 PolarHBondContact O-N 2.89Å
211I98.7Very high96.3Very high0 Ų066.3 Ų66.30%034%0.336CS..Hα-helixtrans-61.1-40.9175.8-65.2166.4000110.1L163 H167 A171 I172 A175 E207 S209 F215L163-I211 HydrophobicContact CD1-CG2 3.96Å; L163-I211 HydrophobicContact CD2-CG1 4.5Å; L163-I211 HydrophobicContact CD2-CG2 4.32Å; H167-I211 HydrophobicContact CB-CD1 3.88Å; H167-I211 HydrophobicContact CB-CG1 4.4Å; A171-I211 HydrophobicContact CB-CD1 3.64Å; I172-I211 HydrophobicContact CD1-CD1 4.38Å; I172-I211 HydrophobicContact CD1-CG2 4.11Å; A175-I211 HydrophobicContact CB-CB 3.83Å; A175-I211 HydrophobicContact CB-CD1 4.43Å; A175-I211 HydrophobicContact CB-CG2 3.42Å; A175-I211 VanDerWaalsContact CB-CG2 3.42Å; E207-I211 HydrophobicContact CG-CD1 4.04Å; E207-I211 VanDerWaalsContact O-CG1 3.32Å; E207-I211 WeakPolarHBondContact O-CG1 3.38Å; E207-I211 PolarHBondContact O-N 3.43Å; S209-I211 PolarHBondContact O-N 3.26Å; I211-F215 VanDerWaalsContact O-CB 3.27Å; I211-F215 WeakPolarHBondContact O-CB 3.44Å; I211-F215 PolarHBondContact O-N 3.17Å
212T98.4Very high96.2Very high5 Ų561.8 Ų61.83%0.03131%0.307CS..Hα-helixtrans-63.4-45.6180-63.40000112.6Y178 I179 V208 S209 K210 T216Y178-T212 HydrophobicContact CD1-CG2 4.22Å; Y178-T212 WeakPolarHBondContact CD1-OG1 3.37Å; Y178-T212 HydrophobicContact CE1-CG2 4.31Å; I179-T212 HydrophobicContact CD1-CG2 4.31Å; I179-T212 HydrophobicContact CG1-CG2 3.59Å; V208-T212 WeakPolarHBondContact O-CB 3.29Å; V208-T212 PolarHBondContact O-N 2.95Å; V208-T212 PolarHBondContact O-OG1 3.49Å; S209-T212 WeakPolarHBondContact O-CA 3.49Å; S209-T212 VanDerWaalsContact O-CB 3.32Å; S209-T212 WeakPolarHBondContact O-CB 3.18Å; S209-T212 PolarHBondContact O-N 3.4Å; S209-T212 VanDerWaalsContact O-N 3.09Å; K210-T212 VanDerWaalsContact C-N 3.27Å; K210-T212 PolarHBondContact O-N 3.25Å; T212-T216 VanDerWaalsContact O-CB 3.32Å; T212-T216 WeakPolarHBondContact O-CB 3.42Å; T212-T216 PolarHBondContact O-N 2.96Å; T212-T216 PolarHBondContact O-OG1 2.63Å
213D98.3Very high96Very high86 Ų8658.1 Ų58.146%0.4629%0.29SS..Hα-helixtrans-66.9-45.2180-63.5-28.5000110.5S209 K210 T216 L217S209-D213 VanDerWaalsContact O-CG 3.25Å; S209-D213 PolarHBondContact O-N 3.43Å; K210-D213 PolarHBondContact O-N 3.5Å; D213-T216 PolarHBondContact O-N 3.5Å; D213-L217 WeakPolarHBondContact O-CG 3.25Å; D213-L217 PolarHBondContact O-N 2.94Å
214E97.8Very high95.7Very high50 Ų5063.4 Ų63.423%0.23432%0.318CS..Hα-helixtrans-64.6-42.3178.3-163-169.7126.700112.4L163 R166 K210 T218L163-E214 HydrophobicContact CD2-CB 4.16Å; L163-E214 VanDerWaalsContact CD2-CD 3.41Å; L163-E214 HydrophobicContact CD2-CG 4.23Å; L163-E214 VanDerWaalsContact CD2-OE1 3.29Å; L163-E214 WeakPolarHBondContact CD2-OE1 3.47Å; R166-E214 IonicContact CZ-OE1 3.89Å; R166-E214 IonicContact CZ-OE2 3.2Å; R166-E214 IonicContact NH1-OE1 3.18Å; R166-E214 IonicContact NH1-OE2 3.46Å; R166-E214 PolarHBondContact NH1-OE2 3.33Å; R166-E214 VanDerWaalsContact NH2-CD 3.3Å; R166-E214 IonicContact NH2-OE1 3.48Å; R166-E214 PolarHBondContact NH2-OE1 3.17Å; R166-E214 IonicContact NH2-OE2 3.89Å; R166-E214 PolarHBondContact NH2-OE2 3.31Å; K210-E214 WeakPolarHBondContact O-CB 3.4Å; K210-E214 PolarHBondContact O-N 2.89Å; E214-T218 WeakPolarHBondContact O-CB 3.38Å; E214-T218 PolarHBondContact O-N 2.68Å; E214-T218 PolarHBondContact O-OG1 3.45Å
215F98.2Very high95.5Very high0 Ų067.7 Ų67.70%033%0.331CS..Hα-helixtrans-61.3-47.4173.6169.5-104.3000111V153 N156 I157 T161 L163 I179 W183 I211 L217 T218 F219V153-F215 HydrophobicContact CG1-CD1 4.41Å; V153-F215 HydrophobicContact CG1-CE1 3.92Å; V153-F215 HydrophobicContact CG1-CZ 4.12Å; N156-F215 HydrophobicContact CB-CE2 3.8Å; N156-F215 HydrophobicContact CB-CZ 3.97Å; I157-F215 HydrophobicContact CB-CD2 4.33Å; I157-F215 HydrophobicContact CD1-CD2 4.39Å; I157-F215 HydrophobicContact CD1-CG 4.41Å; I157-F215 HydrophobicContact CG1-CB 4.27Å; I157-F215 HydrophobicContact CG1-CD2 3.34Å; I157-F215 HydrophobicContact CG1-CE2 3.75Å; I157-F215 HydrophobicContact CG1-CG 3.8Å; T161-F215 HydrophobicContact CG2-CD2 3.95Å; L163-F215 HydrophobicContact CD1-CB 4.01Å; I179-F215 HydrophobicContact CD1-CB 4.29Å; I179-F215 HydrophobicContact CD1-CD1 3.44Å; I179-F215 VanDerWaalsContact CD1-CD1 3.44Å; I179-F215 HydrophobicContact CD1-CE1 4.06Å; I179-F215 HydrophobicContact CD1-CG 4.07Å; I179-F215 HydrophobicContact CG1-CD1 4.42Å; I179-F215 HydrophobicContact CG2-CE1 4.25Å; W183-F215 AromaticContact CH2-CE1 3.99Å; W183-F215 HydrophobicContact CH2-CE1 3.99Å; W183-F215 HydrophobicContact CH2-CZ 4.37Å; W183-F215 AromaticContact CZ2-CE1 3.94Å; W183-F215 HydrophobicContact CZ2-CE1 3.94Å; I211-F215 VanDerWaalsContact O-CB 3.27Å; I211-F215 WeakPolarHBondContact O-CB 3.44Å; I211-F215 PolarHBondContact O-N 3.17Å; F215-L217 VanDerWaalsContact C-N 3.32Å; F215-L217 PolarHBondContact O-N 2.96Å; F215-T218 PolarHBondContact O-N 3.37Å; F215-F219 HydrophobicContact CE1-CB 4.27Å; F215-F219 HydrophobicContact CE1-CG 4.39Å; F215-F219 HydrophobicContact CE2-CB 4.11Å; F215-F219 HydrophobicContact CE2-CD2 4.05Å; F215-F219 HydrophobicContact CE2-CG 4.37Å; F215-F219 HydrophobicContact CZ-CB 4Å; F215-F219 AromaticContact CZ-CD2 3.75Å; F215-F219 HydrophobicContact CZ-CD2 3.75Å; F215-F219 HydrophobicContact CZ-CE2 4.47Å; F215-F219 AromaticContact CZ-CG 3.93Å; F215-F219 HydrophobicContact CZ-CG 3.93Å; F215-F219 WeakPolarHBondContact O-CB 3.41Å; F215-F219 PolarHBondContact O-N 3.02Å
216T96.6Very high95.2Very high43 Ų4364 Ų6426%0.26432%0.315SS..Hα-helixtrans-60.5-43.9-177-59.90000111.1T212 D213 Q220T212-T216 VanDerWaalsContact O-CB 3.32Å; T212-T216 WeakPolarHBondContact O-CB 3.42Å; T212-T216 PolarHBondContact O-N 2.96Å; T212-T216 PolarHBondContact O-OG1 2.63Å; D213-T216 PolarHBondContact O-N 3.5Å; T216-Q220 VanDerWaalsContact O-CG 3.25Å; T216-Q220 WeakPolarHBondContact O-CG 3.26Å; T216-Q220 PolarHBondContact O-N 3.03Å; T216-Q220 VanDerWaalsContact O-N 3.14Å
217L95.6Very high94.9Very high102 Ų10257.6 Ų57.653%0.53428%0.284SS..Hα-helixtrans-61.2-51.5175-69.6171.7000111.2D213 F215 F219 Q220 E221D213-L217 WeakPolarHBondContact O-CG 3.25Å; D213-L217 PolarHBondContact O-N 2.94Å; F215-L217 VanDerWaalsContact C-N 3.32Å; F215-L217 PolarHBondContact O-N 2.96Å; L217-F219 VanDerWaalsContact C-N 3.31Å; L217-F219 PolarHBondContact O-N 3.31Å; L217-Q220 PolarHBondContact O-N 3.49Å; L217-E221 WeakPolarHBondContact O-CG 3.45Å; L217-E221 PolarHBondContact O-N 2.94Å; L217-E221 VanDerWaalsContact O-N 3.07Å
218T94.5Very high94.6Very high20 Ų2059.3 Ų59.312%0.12329%0.292CS..Hα-helixtrans-63.5-37.9-178-54.40000112.2L12 L160 T161 E214 F215 E221 C222L12-T218 HydrophobicContact CD2-CG2 3.86Å; L160-T218 WeakPolarHBondContact O-CG2 3.5Å; T161-T218 HydrophobicContact CG2-CG2 3.92Å; E214-T218 WeakPolarHBondContact O-CB 3.38Å; E214-T218 PolarHBondContact O-N 2.68Å; E214-T218 PolarHBondContact O-OG1 3.45Å; F215-T218 PolarHBondContact O-N 3.37Å; T218-E221 PolarHBondContact O-N 3.43Å; T218-C222 WeakPolarHBondContact O-CB 3.27Å; T218-C222 PolarHBondContact O-N 3.31Å
219F94.1Very high94.2Very high14 Ų1462.9 Ų62.96%0.06131%0.308CS..Hα-helixtrans-67.4-35.8179.5-174.5-100.5000112.2N156 L160 W183 F215 L217 R227N156-F219 HydrophobicContact CB-CD2 4.41Å; N156-F219 HydrophobicContact CB-CE2 4.34Å; L160-F219 HydrophobicContact CD1-CD2 3.75Å; L160-F219 HydrophobicContact CD1-CE2 4.03Å; W183-F219 HydrophobicContact CH2-CE1 4.4Å; F215-F219 HydrophobicContact CE1-CB 4.27Å; F215-F219 HydrophobicContact CE1-CG 4.39Å; F215-F219 HydrophobicContact CE2-CB 4.11Å; F215-F219 HydrophobicContact CE2-CD2 4.05Å; F215-F219 HydrophobicContact CE2-CG 4.37Å; F215-F219 HydrophobicContact CZ-CB 4Å; F215-F219 AromaticContact CZ-CD2 3.75Å; F215-F219 HydrophobicContact CZ-CD2 3.75Å; F215-F219 HydrophobicContact CZ-CE2 4.47Å; F215-F219 AromaticContact CZ-CG 3.93Å; F215-F219 HydrophobicContact CZ-CG 3.93Å; F215-F219 WeakPolarHBondContact O-CB 3.41Å; F215-F219 PolarHBondContact O-N 3.02Å; L217-F219 VanDerWaalsContact C-N 3.31Å; L217-F219 PolarHBondContact O-N 3.31Å; F219-R227 PolarHBondContact O-NH1 2.78Å
220Q92.1Very high94Very high128 Ų12861.5 Ų61.560%0.59830%0.299SS*.Hα-helixtrans-72.3-37.6176-72.8172.6-0.500112.3T216 L217 C222T216-Q220 VanDerWaalsContact O-CG 3.25Å; T216-Q220 WeakPolarHBondContact O-CG 3.26Å; T216-Q220 PolarHBondContact O-N 3.03Å; T216-Q220 VanDerWaalsContact O-N 3.14Å; L217-Q220 PolarHBondContact O-N 3.49Å; Q220-C222 VanDerWaalsContact C-N 3.32Å
221E91.2Very high93.6Very high156 Ų15658 Ų5873%0.72928%0.282SS*.Hα-helixtrans-77.1-16.8178.3-69-178.8174.200113.4L217 T218 D223L217-E221 WeakPolarHBondContact O-CG 3.45Å; L217-E221 PolarHBondContact O-N 2.94Å; L217-E221 VanDerWaalsContact O-N 3.07Å; T218-E221 PolarHBondContact O-N 3.43Å; E221-D223 PolarHBondContact O-N 3.29Å
222C92.3Very high93.3Very high6 Ų661.1 Ų61.14%0.04130%0.304CS..SBendtrans-67.8132-177.5-173.30000112.3T218 Q220 L224 R227T218-C222 WeakPolarHBondContact O-CB 3.27Å; T218-C222 PolarHBondContact O-N 3.31Å; Q220-C222 VanDerWaalsContact C-N 3.32Å; C222-L224 PolarHBondContact O-N 3.16Å; C222-R227 HydrophobicContact CB-CG 4.15Å; C222-R227 PolarHBondContact O-NE 3.3Å; C222-R227 VanDerWaalsContact O-NE 3.13Å; C222-R227 PolarHBondContact O-NH2 3.18Å
223D89.6Confident92.9Very high84 Ų8461.7 Ų61.745%0.44931%0.307SS..  trans-51.5127.4177.6-171.3-31.1000110.7E221 K225 I226 R227E221-D223 PolarHBondContact O-N 3.29Å; D223-K225 PolarHBondContact O-N 3.18Å; D223-K225 WeakPolarHBondContact OD1-CB 3.47Å; D223-K225 PolarHBondContact OD1-N 2.87Å; D223-I226 HydrophobicContact CB-CD1 4.14Å; D223-I226 HydrophobicContact CB-CG1 4.18Å; D223-I226 WeakPolarHBondContact O-CB 3.29Å; D223-I226 PolarHBondContact O-N 3.12Å; D223-R227 PolarHBondContact O-N 3.39Å; D223-R227 VanDerWaalsContact O-N 3.12Å
224L90.8Very high92.5Very high116 Ų11659.2 Ų59.261%0.60729%0.294SS*.Hα-helixtrans-53.9-35.1178.1-72.2168.7000112.2C222 I226 R227 E228C222-L224 PolarHBondContact O-N 3.16Å; L224-I226 VanDerWaalsContact C-N 3.34Å; L224-I226 PolarHBondContact O-N 3.15Å; L224-R227 PolarHBondContact O-N 3.05Å; L224-E228 VanDerWaalsContact O-CB 3.3Å; L224-E228 WeakPolarHBondContact O-CB 3.38Å; L224-E228 PolarHBondContact O-N 3.18Å
225K91.5Very high92.2Very high161 Ų16164.6 Ų64.670%0.731%0.312SS*.Hα-helixtrans-63.7-40.1178-66.6177.2-179.1172.50112.1D223 Q229D223-K225 PolarHBondContact O-N 3.18Å; D223-K225 WeakPolarHBondContact OD1-CB 3.47Å; D223-K225 PolarHBondContact OD1-N 2.87Å; K225-Q229 VanDerWaalsContact O-CB 3.23Å; K225-Q229 WeakPolarHBondContact O-CB 3.32Å; K225-Q229 PolarHBondContact O-N 3.26Å
226I90.3Very high91.8Very high9 Ų967.3 Ų67.35%0.04633%0.331CS..Hα-helixtrans-68.7-46178.4-65.9177.9000109.5Q16 Q17 L160 D223 L224 E228 Q229 L230Q16-I226 HydrophobicContact CB-CD1 4.06Å; Q16-I226 HydrophobicContact CB-CG2 3.96Å; Q17-I226 HydrophobicContact CG-CD1 4.34Å; L160-I226 HydrophobicContact CD2-CG2 3.98Å; D223-I226 HydrophobicContact CB-CD1 4.14Å; D223-I226 HydrophobicContact CB-CG1 4.18Å; D223-I226 WeakPolarHBondContact O-CB 3.29Å; D223-I226 PolarHBondContact O-N 3.12Å; L224-I226 VanDerWaalsContact C-N 3.34Å; L224-I226 PolarHBondContact O-N 3.15Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.08Å; I226-Q229 PolarHBondContact O-N 3.17Å; I226-L230 WeakPolarHBondContact O-CB 3.42Å; I226-L230 PolarHBondContact O-N 3.34Å
227R90.4Very high91.4Very high23 Ų2367.1 Ų67.19%0.08733%0.326CS..Hα-helixtrans-60.1-44.1177.2-68.3-167-77.4165-3.5111.7L160 F219 C222 D223 L224 L230 R231L160-R227 HydrophobicContact CD1-CG 4.17Å; F219-R227 PolarHBondContact O-NH1 2.78Å; C222-R227 HydrophobicContact CB-CG 4.15Å; C222-R227 PolarHBondContact O-NE 3.3Å; C222-R227 VanDerWaalsContact O-NE 3.13Å; C222-R227 PolarHBondContact O-NH2 3.18Å; D223-R227 PolarHBondContact O-N 3.39Å; D223-R227 VanDerWaalsContact O-N 3.12Å; L224-R227 PolarHBondContact O-N 3.05Å; R227-L230 PolarHBondContact O-N 3.3Å; R227-R231 VanDerWaalsContact O-CB 3.29Å; R227-R231 WeakPolarHBondContact O-CB 3.35Å; R227-R231 PolarHBondContact O-N 3.04Å
228E91.8Very high91.1Very high90 Ų9067.6 Ų67.642%0.42132%0.323SS..Hα-helixtrans-68.7-41.3178.6-173.852-140.700112.3L224 I226 L230 R231 C232L224-E228 VanDerWaalsContact O-CB 3.3Å; L224-E228 WeakPolarHBondContact O-CB 3.38Å; L224-E228 PolarHBondContact O-N 3.18Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.08Å; E228-L230 VanDerWaalsContact C-N 3.33Å; E228-L230 PolarHBondContact O-N 2.97Å; E228-R231 PolarHBondContact O-N 3.21Å; E228-C232 WeakPolarHBondContact O-CB 3.49Å; E228-C232 PolarHBondContact O-N 3.08Å; E228-C232 PolarHBondContact OE1-SG 3.04Å
229Q90.6Very high90.9Very high75 Ų7571.4 Ų71.435%0.3534%0.343SS..Hα-helixtrans-58.4-47.7175.1179.6-178.6-6.600111E24 K225 I226 C232 S233E24-Q229 PolarHBondContact OE1-NE2 3.45Å; K225-Q229 VanDerWaalsContact O-CB 3.23Å; K225-Q229 WeakPolarHBondContact O-CB 3.32Å; K225-Q229 PolarHBondContact O-N 3.26Å; I226-Q229 PolarHBondContact O-N 3.17Å; Q229-C232 PolarHBondContact O-N 2.91Å; Q229-S233 WeakPolarHBondContact O-CB 3.46Å; Q229-S233 PolarHBondContact O-N 3.41Å
230L92.1Very high90.5Very high2 Ų275 Ų751%0.0136%0.36CS..Hα-helixtrans-60.2-49177171.956.7000111Q23 H159 L160 I226 R227 E228 C232 S233 L234Q23-L230 HydrophobicContact CG-CD1 4.27Å; H159-L230 HydrophobicContact CB-CD2 4.02Å; H159-L230 WeakPolarHBondContact CD2-CD1 3.43Å; L160-L230 HydrophobicContact CD2-CD2 4.47Å; I226-L230 WeakPolarHBondContact O-CB 3.42Å; I226-L230 PolarHBondContact O-N 3.34Å; R227-L230 PolarHBondContact O-N 3.3Å; E228-L230 VanDerWaalsContact C-N 3.33Å; E228-L230 PolarHBondContact O-N 2.97Å; L230-C232 PolarHBondContact O-N 3.29Å; L230-S233 WeakPolarHBondContact O-CB 3.42Å; L230-S233 PolarHBondContact O-N 2.69Å; L230-S233 VanDerWaalsContact O-N 3.15Å; L230-L234 HydrophobicContact CD1-CD1 3.87Å; L230-L234 HydrophobicContact CD1-CD2 4.33Å; L230-L234 HydrophobicContact CD1-CG 3.85Å; L230-L234 HydrophobicContact CG-CD1 4.03Å; L230-L234 HydrophobicContact CG-CG 4.42Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 3.14Å
231R90.8Very high90.2Very high47 Ų4777.1 Ų77.118%0.17736%0.362CS..Hα-helixtrans-57.4-47.9179-177-172.3146.5148.51.2111.9R227 E228 S233 L234 R235 Y421 F422R227-R231 VanDerWaalsContact O-CB 3.29Å; R227-R231 WeakPolarHBondContact O-CB 3.35Å; R227-R231 PolarHBondContact O-N 3.04Å; E228-R231 PolarHBondContact O-N 3.21Å; R231-S233 VanDerWaalsContact C-N 3.34Å; R231-S233 PolarHBondContact O-N 2.86Å; R231-L234 PolarHBondContact O-N 3.07Å; R231-R235 WeakPolarHBondContact O-CB 3.39Å; R231-R235 PolarHBondContact O-N 3.24Å; R231-Y421 PolarHBondContact NH1-O 2.87Å; R231-F422 VanDerWaalsContact NH1-CA 3.28Å; R231-F422 PolarHBondContact NH1-O 3.5Å; R231-F422 PolarHBondContact NH1-OXT 3.42Å; R231-F422 PolarHBondContact NH2-O 3.09Å; R231-F422 PolarHBondContact NH2-OXT 3.31Å
232C92.4Very high90.1Very high67 Ų6773.4 Ų73.445%0.45335%0.345SS..Hα-helixtrans-58.4-43.5174.8-85.90000112.2E228 Q229 L230 R235 S236E228-C232 WeakPolarHBondContact O-CB 3.49Å; E228-C232 PolarHBondContact O-N 3.08Å; E228-C232 PolarHBondContact OE1-SG 3.04Å; Q229-C232 PolarHBondContact O-N 2.91Å; L230-C232 PolarHBondContact O-N 3.29Å; C232-R235 PolarHBondContact O-N 3.39Å; C232-S236 WeakPolarHBondContact O-CB 3.47Å; C232-S236 PolarHBondContact O-N 3.35Å
233S89.5Confident90Very high16 Ų1681.9 Ų81.911%0.11238%0.376CS..Hα-helixtrans-62.8-46.1178.8-174.70000112.2E24 Q229 L230 R231 S236 R237E24-S233 WeakPolarHBondContact CG-OG 3.38Å; Q229-S233 WeakPolarHBondContact O-CB 3.46Å; Q229-S233 PolarHBondContact O-N 3.41Å; L230-S233 WeakPolarHBondContact O-CB 3.42Å; L230-S233 PolarHBondContact O-N 2.69Å; L230-S233 VanDerWaalsContact O-N 3.15Å; R231-S233 VanDerWaalsContact C-N 3.34Å; R231-S233 PolarHBondContact O-N 2.86Å; S233-S236 PolarHBondContact O-N 2.77Å; S233-R237 PolarHBondContact O-N 2.84Å; S233-R237 VanDerWaalsContact O-N 3.09Å
234L90.9Very high89.7Confident34 Ų3486 Ų8618%0.17839%0.385CS..Hα-helixtrans-63.8-43.3176.9-65.5175.3000111.9Q23 T155 L230 R231 R237 K238Q23-L234 HydrophobicContact CG-CD2 4.4Å; T155-L234 HydrophobicContact CG2-CD1 3.88Å; T155-L234 HydrophobicContact CG2-CD2 4.15Å; L230-L234 HydrophobicContact CD1-CD1 3.87Å; L230-L234 HydrophobicContact CD1-CD2 4.33Å; L230-L234 HydrophobicContact CD1-CG 3.85Å; L230-L234 HydrophobicContact CG-CD1 4.03Å; L230-L234 HydrophobicContact CG-CG 4.42Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 3.14Å; R231-L234 PolarHBondContact O-N 3.07Å; L234-R237 PolarHBondContact O-N 3.09Å; L234-K238 PolarHBondContact O-N 3.43Å
235R91.4Very high89.4Confident163 Ų16384.4 Ų84.462%0.61538%0.375SS*.Hα-helixtrans-62.5-45.8177.1-173.8177.1-179.4178.82.3111.9R231 C232 R237 K238 L239R231-R235 WeakPolarHBondContact O-CB 3.39Å; R231-R235 PolarHBondContact O-N 3.24Å; C232-R235 PolarHBondContact O-N 3.39Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 3.09Å; R235-K238 PolarHBondContact O-N 3.19Å; R235-L239 HydrophobicContact CG-CD1 4.47Å; R235-L239 WeakPolarHBondContact O-CG 3.37Å; R235-L239 PolarHBondContact O-N 3.37Å; R235-L239 VanDerWaalsContact O-N 3.11Å
236S89.4Confident89.1Confident58 Ų5881.2 Ų81.241%0.40637%0.365SS..Hα-helixtrans-58.8-43.1177.6-177.70000111.8C232 S233 L239 Q240C232-S236 WeakPolarHBondContact O-CB 3.47Å; C232-S236 PolarHBondContact O-N 3.35Å; S233-S236 PolarHBondContact O-N 2.77Å; S236-L239 PolarHBondContact O-N 2.96Å; S236-Q240 WeakPolarHBondContact O-CG 3.32Å; S236-Q240 PolarHBondContact O-N 2.92Å; S236-Q240 VanDerWaalsContact O-N 3.08Å
237R88.6Confident88.9Confident39 Ų3985.5 Ų85.515%0.14739%0.388CS..Hα-helixtrans-65.1-42177.2-168.8-176.3-167.3-176.416.6112.7T31 T32 Q33 S233 L234 R235 L239 Q240 R241T31-R237 VanDerWaalsContact C-NH2 3.32Å; T31-R237 PolarHBondContact O-NH2 3.49Å; T32-R237 PolarHBondContact O-NH2 3.31Å; T32-R237 VanDerWaalsContact O-NH2 3.16Å; Q33-R237 VanDerWaalsContact CA-NH1 3.34Å; S233-R237 PolarHBondContact O-N 2.84Å; S233-R237 VanDerWaalsContact O-N 3.09Å; L234-R237 PolarHBondContact O-N 3.09Å; R235-R237 VanDerWaalsContact C-N 3.32Å; R235-R237 PolarHBondContact O-N 3.09Å; R237-L239 VanDerWaalsContact C-N 3.32Å; R237-L239 PolarHBondContact O-N 2.89Å; R237-Q240 PolarHBondContact O-N 3.29Å; R237-R241 PolarHBondContact O-N 3.23Å
238K88.7Confident88.6Confident111 Ų11189.5 Ų89.548%0.48342%0.415SS..Hα-helixtrans-56.8-48176.3-176178.3174.5-178.60110.7L234 R235 Q240 R241 E242L234-K238 PolarHBondContact O-N 3.43Å; R235-K238 PolarHBondContact O-N 3.19Å; K238-Q240 PolarHBondContact O-N 2.92Å; K238-R241 WeakPolarHBondContact O-CB 3.35Å; K238-R241 PolarHBondContact O-N 3.4Å; K238-R241 VanDerWaalsContact O-N 3.16Å; K238-E242 WeakPolarHBondContact CE-OE1 3.19Å; K238-E242 WeakPolarHBondContact O-CG 3.35Å; K238-E242 PolarHBondContact O-N 2.89Å
239L89.8Confident88.3Confident100 Ų10090.7 Ų90.752%0.52442%0.424SS..Hα-helixtrans-62.2-38.7177.9-68.6171000113.2R235 S236 R237 R241 R243R235-L239 HydrophobicContact CG-CD1 4.47Å; R235-L239 WeakPolarHBondContact O-CG 3.37Å; R235-L239 PolarHBondContact O-N 3.37Å; R235-L239 VanDerWaalsContact O-N 3.11Å; S236-L239 PolarHBondContact O-N 2.96Å; R237-L239 VanDerWaalsContact C-N 3.32Å; R237-L239 PolarHBondContact O-N 2.89Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 3.26Å; L239-R243 WeakPolarHBondContact O-CB 3.08Å; L239-R243 PolarHBondContact O-N 2.84Å
240Q87.2Confident88Confident91 Ų9192.8 Ų92.843%0.42544%0.438SS..Hα-helixtrans-64.8-37.2176.1-72.1175.719.400112.2S236 R237 K238 R244S236-Q240 WeakPolarHBondContact O-CG 3.32Å; S236-Q240 PolarHBondContact O-N 2.92Å; S236-Q240 VanDerWaalsContact O-N 3.08Å; R237-Q240 PolarHBondContact O-N 3.29Å; K238-Q240 PolarHBondContact O-N 2.92Å; Q240-R244 PolarHBondContact O-N 3.02Å
241R85.7Confident87.4Confident171 Ų17197.1 Ų97.165%0.64547%0.465SS*.Hα-helixtrans-68.7-47.4176.8-178.7179.2171173.4-1111.5R237 K238 L239 R243 R244 E245R237-R241 PolarHBondContact O-N 3.23Å; K238-R241 WeakPolarHBondContact O-CB 3.35Å; K238-R241 PolarHBondContact O-N 3.4Å; K238-R241 VanDerWaalsContact O-N 3.16Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 3.26Å; R241-R243 PolarHBondContact O-N 3.02Å; R241-R244 WeakPolarHBondContact O-CB 3.48Å; R241-R244 PolarHBondContact O-N 3.27Å; R241-R244 VanDerWaalsContact O-N 3.1Å; R241-E245 IonicContact CZ-OE1 2.63Å; R241-E245 IonicContact NE-OE1 3.65Å; R241-E245 PolarHBondContact NE-OE1 2.91Å; R241-E245 IonicContact NH2-OE1 3.77Å; R241-E245 PolarHBondContact NH2-OE1 3.44Å; R241-E245 WeakPolarHBondContact O-CG 3.32Å; R241-E245 PolarHBondContact O-N 3.1Å
242E89.1Confident86.7Confident79 Ų7999.9 Ų99.937%0.36949%0.49SS..Hα-helixtrans-58.3-47.3177.4-72.1169.1173.400110.8K238 R244 E245 D246K238-E242 WeakPolarHBondContact CE-OE1 3.19Å; K238-E242 WeakPolarHBondContact O-CG 3.35Å; K238-E242 PolarHBondContact O-N 2.89Å; E242-R244 VanDerWaalsContact C-N 3.25Å; E242-R244 PolarHBondContact O-N 3.02Å; E242-E245 PolarHBondContact O-N 3.19Å; E242-E245 VanDerWaalsContact O-N 3.1Å; E242-D246 PolarHBondContact O-N 3.01Å
243R88.8Confident85.8Confident183 Ų183108 Ų10869%0.69151%0.511SS*.Hα-helixtrans-56.3-37.7175-178-176.4-73.8-169.4-3.7112.9L239 R241 L247L239-R243 WeakPolarHBondContact O-CB 3.08Å; L239-R243 PolarHBondContact O-N 2.84Å; R241-R243 PolarHBondContact O-N 3.02Å; R243-L247 HydrophobicContact CG-CD1 4.38Å; R243-L247 VanDerWaalsContact O-CG 3.29Å; R243-L247 WeakPolarHBondContact O-CG 3.47Å; R243-L247 PolarHBondContact O-N 3.25Å; R243-L247 VanDerWaalsContact O-N 3.1Å
244R83.9Confident84.6Confident171 Ų171111.6 Ų111.665%0.64554%0.542SS*.Hα-helixtrans-71.8-41178.7-174178.4179.5-173.5-1.2111.4Q240 R241 E242 D246 L247 V248Q240-R244 PolarHBondContact O-N 3.02Å; R241-R244 WeakPolarHBondContact O-CB 3.48Å; R241-R244 PolarHBondContact O-N 3.27Å; R241-R244 VanDerWaalsContact O-N 3.1Å; E242-R244 VanDerWaalsContact C-N 3.25Å; E242-R244 PolarHBondContact O-N 3.02Å; R244-D246 VanDerWaalsContact C-N 3.31Å; R244-L247 PolarHBondContact O-N 2.99Å; R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.47Å; R244-V248 PolarHBondContact O-N 2.91Å; R244-V248 VanDerWaalsContact O-N 3.15Å
245E84.2Confident83Confident83 Ų83118.9 Ų118.939%0.38858%0.575SS.*Hα-helixtrans-63.5-40175.4-69.4174.7-177.500110.3R241 E242 V248 N249R241-E245 IonicContact CZ-OE1 2.63Å; R241-E245 IonicContact NE-OE1 3.65Å; R241-E245 PolarHBondContact NE-OE1 2.91Å; R241-E245 IonicContact NH2-OE1 3.77Å; R241-E245 PolarHBondContact NH2-OE1 3.44Å; R241-E245 WeakPolarHBondContact O-CG 3.32Å; R241-E245 PolarHBondContact O-N 3.1Å; E242-E245 PolarHBondContact O-N 3.19Å; E242-E245 VanDerWaalsContact O-N 3.1Å; E245-V248 PolarHBondContact O-N 3.22Å; E245-N249 WeakPolarHBondContact O-CB 3.48Å; E245-N249 VanDerWaalsContact O-CG 3.25Å; E245-N249 PolarHBondContact O-N 3.33Å; E245-N249 PolarHBondContact O-ND2 3.39Å
246D86.2Confident80.9Confident93 Ų93119.5 Ų119.550%0.49759%0.585SS.*Hα-helixtrans-62.4-43.8174.6-69.8-33.8000112.8E242 R244 V248 N249 N250E242-D246 PolarHBondContact O-N 3.01Å; R244-D246 VanDerWaalsContact C-N 3.31Å; D246-V248 VanDerWaalsContact C-N 3.28Å; D246-V248 PolarHBondContact O-N 3.06Å; D246-N249 PolarHBondContact O-N 3.26Å; D246-N250 CarbonylContact O-C 3.4Å; D246-N250 WeakPolarHBondContact O-CA 3.1Å; D246-N250 WeakPolarHBondContact O-CB 3.37Å; D246-N250 PolarHBondContact O-N 3.04Å
247L86.2Confident79.1Confident100 Ų100122.5 Ų122.552%0.52460%0.602SS.*Hα-helixtrans-66.6-28.2177.7-72170000113.2R243 R244 P251 P252R243-L247 HydrophobicContact CG-CD1 4.38Å; R243-L247 VanDerWaalsContact O-CG 3.29Å; R243-L247 WeakPolarHBondContact O-CG 3.47Å; R243-L247 PolarHBondContact O-N 3.25Å; R243-L247 VanDerWaalsContact O-N 3.1Å; R244-L247 PolarHBondContact O-N 2.99Å; L247-P251 WeakPolarHBondContact O-CA 3.36Å; L247-P252 HydrophobicContact CD2-CG 4.46Å
248V84Confident77.2Confident107 Ų107129.5 Ų129.565%0.64864%0.637SS**Hα-helixtrans-79.2-42.5176.71710000110.8R244 E245 D246R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.47Å; R244-V248 PolarHBondContact O-N 2.91Å; R244-V248 VanDerWaalsContact O-N 3.15Å; E245-V248 PolarHBondContact O-N 3.22Å; D246-V248 VanDerWaalsContact C-N 3.28Å; D246-V248 PolarHBondContact O-N 3.06Å
249N84.6Confident74.9Confident115 Ų115135.7 Ų135.762%0.61566%0.657SS**Hα-helixtrans-76.9-33.5-179.4-66.7-36.3000112.3E245 D246E245-N249 WeakPolarHBondContact O-CB 3.48Å; E245-N249 VanDerWaalsContact O-CG 3.25Å; E245-N249 PolarHBondContact O-N 3.33Å; E245-N249 PolarHBondContact O-ND2 3.39Å; D246-N249 PolarHBondContact O-N 3.26Å
250N85.1Confident72.7Confident119 Ų119141.7 Ų141.764%0.63667%0.673SS**SBendtrans-128.776.6-179.6-63.9-57.3000110D246D246-N250 CarbonylContact O-C 3.4Å; D246-N250 WeakPolarHBondContact O-CA 3.1Å; D246-N250 WeakPolarHBondContact O-CB 3.37Å; D246-N250 PolarHBondContact O-N 3.04Å
251P78.8Confident70.5Confident92 Ų92143.2 Ų143.260%0.59769%0.69SS**  trans-60.1138.6176.423.6-32.1000110.1L247 R253L247-P251 WeakPolarHBondContact O-CA 3.36Å; P251-R253 PolarHBondContact O-N 3.27Å; P251-R253 VanDerWaalsContact O-N 3.09Å
252P76.4Confident68.5Low106 Ų106141.3 Ų141.369%0.68870%0.697SS**  trans-55.8122.1177.4-45.2000109.7L247 A254L247-P252 HydrophobicContact CD2-CG 4.46Å; P252-A254 PolarHBondContact O-N 3.4Å
253R73.4Confident66.1Low238 Ų238143.2 Ų143.290%0.89872%0.717SS**  trans-59.5113.5170.9-167.4172.2-172.2173.41.5106.6P251 Q255P251-R253 PolarHBondContact O-N 3.27Å; P251-R253 VanDerWaalsContact O-N 3.09Å; R253-Q255 PolarHBondContact O-N 3.01Å
254A65.1Low63.5Low91 Ų91141.8 Ų141.875%0.75272%0.723SS**  trans-53.7107.7172.800000107.1P252 E256P252-A254 PolarHBondContact O-N 3.4Å; A254-E256 PolarHBondContact O-N 2.78Å
255Q56.3Low61.1Low187 Ų187138.8 Ų138.887%0.87473%0.728SS**  trans-64.2110.8170-76.4179.1-5.700105.3R253R253-Q255 PolarHBondContact O-N 3.01Å
256E47.5Very low59Low176 Ų176144.1 Ų144.182%0.82275%0.753SS**  trans-48.2132.6169.8-79.2177.6126.600108.1A254 Q258A254-E256 PolarHBondContact O-N 2.78Å; E256-Q258 PolarHBondContact O-N 3.44Å
257P51.5Low56.3Low120 Ų120149.2 Ų149.278%0.77977%0.774SS**  trans-56.3110.4178.7-19.329.3000108.4R259P257-R259 PolarHBondContact O-N 3.2Å
258Q48.8Very low53.7Low186 Ų186153.8 Ų153.887%0.86979%0.79SS**  trans-53.6112.7171-90.9-175.2-36.300107.3E256 R260E256-Q258 PolarHBondContact O-N 3.44Å; Q258-R260 PolarHBondContact O-N 2.97Å
259R41Very low51Low241 Ų241152.8 Ų152.891%0.90979%0.793SS**  trans-53.8102.2175.7-68.9-175.1-177.3-145.22.4108P257P257-R259 PolarHBondContact O-N 3.2Å
260R42.3Very low48.6Very low227 Ų227154 Ų15486%0.85780%0.799SS**PPolyproline II helixtrans-67.8128.2164.4-74.4-173177.9-155.4-0.1107.1Q258 V262Q258-R260 PolarHBondContact O-N 2.97Å; R260-V262 PolarHBondContact O-N 3.32Å
261P41.6Very low45.8Very low122 Ų122152.8 Ų152.879%0.79280%0.8SS**PPolyproline II helixtrans-63.7124.7175.9-13.526.9000108.8
262V43.1Very low43.5Very low131 Ų131160.5 Ų160.579%0.79482%0.817SS**PPolyproline II helixtrans-76.9125.9177.9-173.10000107.8R260 D264R260-V262 PolarHBondContact O-N 3.32Å; V262-D264 PolarHBondContact O-N 2.87Å
263P40Very low41.4Very low120 Ų120164.6 Ų164.678%0.77982%0.824SS**PPolyproline II helixtrans-70.9123.6167.6-11.727.4000109.2
264D34Very low39.1Very low153 Ų153159 Ų15982%0.81882%0.817SS**PPolyproline II helixtrans-61.2152.7172.3-93.4-39.3000112.1V262V262-D264 PolarHBondContact O-N 2.87Å
265S34Very low37.6Very low107 Ų107164.2 Ų164.275%0.74883%0.825SS**  trans82.8100.3162.5-48.70000116.9
266Q38.9Very low36.3Very low196 Ų196163.7 Ų163.792%0.91682%0.82SS**  -175.9121.8103.1-96.5172.3-4.700110.8
267Q30.2Very low35.3Very low199 Ų199166.5 Ų166.593%0.9382%0.823SS**  trans-62.2131.2172.9-68.8166-21.100110.4
268K31.1Very low34.7Very low197 Ų197165.5 Ų165.586%0.85782%0.817SS**  trans-142.1109152.8-136.5179.3-176.9-175.10109.4
269A28Very low33.5Very low86 Ų86166.7 Ų166.771%0.71182%0.815SS**  trans-68.3140.4167.900000109.4
270D34.1Very low33.1Very low139 Ų139163.4 Ų163.474%0.74382%0.816SS**  trans-176.792.9150.3-84.9-31.2000107.2
271S26.1Very low32.4Very low95 Ų95156.7 Ų156.766%0.66480%0.803SS**  64.173.196.6179.30000114.3
272W30.7Very low32Very low254 Ų254157.6 Ų157.696%0.96281%0.807SS**  trans-113.2128.7155.2-65.4-22000111.4
273K30.8Very low31.2Very low191 Ų191158.1 Ų158.183%0.8381%0.805SS**  trans-79.2138.8-161.8-70.8172.4171.7174.80111.7
274T26.9Very low31Very low122 Ų122158.3 Ų158.375%0.74881%0.81SS**  trans-57.8121.3163.4-48.60000111K276T274-K276 HydrophobicContact CG2-CG 3.98Å
275E33.4Very low30.8Very low199 Ų199156.2 Ų156.293%0.9381%0.807SS**  trans-105.2125160.9-142.5161.9-159.500109
276K27.7Very low30.5Very low176 Ų176155.7 Ų155.777%0.76581%0.809SS**  trans-99.8156.4-168.6-70-177.8172.4178.30110.3T274T274-K276 HydrophobicContact CG2-CG 3.98Å
277R28.1Very low30.5Very low235 Ų235152.1 Ų152.189%0.88780%0.803SS**  trans99.9157.1139.4-107.4-171.6-179.8174.3-1.1118.2
278P38.9Very low30.5Very low100 Ų100152 Ų15265%0.64980%0.802SS**  -135171.6-96.643.9-27.4000115.5
279Y23.7Very low30.7Very low211 Ų211149.2 Ų149.283%0.82780%0.801SS**  trans27.6120.9143.4-83.5-99.3000120.4
280N30.7Very low31Very low172 Ų172150.4 Ų150.492%0.9280%0.802SS**  trans-122.8123.7139.4-110.4-7.2000109.4
281S28.8Very low30.9Very low85 Ų85149 Ų14959%0.59480%0.803SS**  trans-99.2123.1-178.7169.40000108.6
282T32.3Very low31.3Very low142 Ų142153.4 Ų153.487%0.87181%0.813SS**  trans-126103.2160.335.90000109
283N26.2Very low31.3Very low141 Ų141150 Ų15075%0.75481%0.807SS**  trans-63.8128.7167.2-80.2-22.8000109.9
284S35.6Very low31.7Very low125 Ų125146.7 Ų146.787%0.87481%0.805SS**  trans-131.4119.9151.6-74.30000108.5
285S30.8Very low32Very low108 Ų108147.3 Ų147.376%0.75580%0.804SS**  trans-90.8136.7-167.6-50.10000112.4
286A28.2Very low31.9Very low96 Ų96145.1 Ų145.179%0.79379%0.794SS**  trans64.2160.8142.300000120.6
287P39.1Very low32.3Very low122 Ų122146.1 Ų146.179%0.79280%0.801SS**  cis-128.8154.2-11.926-4000115.2
288Q29.4Very low32.4Very low197 Ų197139.8 Ų139.892%0.92180%0.799SS**  trans-76.7142.6167.7-79.2170.1-58.600111.9
289V35.9Very low32Very low138 Ų138145.8 Ų145.884%0.83681%0.808SS**  trans-107.9141.2166.3176.20000108.8
290P34.2Very low32.2Very low111 Ų111141 Ų14172%0.72181%0.805SS**  trans-90.9145.6-156.9-2.222.8000114.4
291S32.5Very low32.6Very low110 Ų110141 Ų14177%0.76980%0.8SS**  trans-70.3128.7167.444.50000111.6
292Q34.2Very low32.5Very low186 Ų186141.9 Ų141.987%0.86981%0.812SS**  trans-108.9111.4167.7-69.1-1776.700108.9
293H30.3Very low32.3Very low182 Ų182139 Ų13984%0.84381%0.811SS**  trans-95129.7162.4-91-85.2000108.7
294P39Very low32.3Very low122 Ų122135.9 Ų135.979%0.79281%0.811SS**  trans-108.7134.9153.82.917.8000110.9
295N33.3Very low32Very low135 Ų135134.6 Ų134.672%0.72280%0.803SS**  trans-76.2150.5-179.6-103-17.2000113.3
296H31.2Very low31.8Very low153 Ų153137.8 Ų137.871%0.70881%0.806SS**  trans41.6116.3143.9-63.4-65.3000120.8
297H36.1Very low31.8Very low198 Ų198139.6 Ų139.692%0.91780%0.802SS**  trans-147.2111.4130.8-83.8-62.4000110.7
298A29.1Very low31.4Very low102 Ų102138.6 Ų138.684%0.84379%0.793SS**  trans-89125.3161.700000107.8
299R31.1Very low31.2Very low226 Ų226137.6 Ų137.685%0.85379%0.789SS**  trans-142.3103.6167.9-141.6174.5-176178.71109.3
300S28.2Very low31.1Very low109 Ų109139.7 Ų139.776%0.76279%0.792SS**  trans-71.8130.1164.149.70000109.7
301H39.3Very low30.8Very low174 Ų174141.6 Ų141.681%0.80680%0.796SS**  trans-143.5124150.7-95.4-69.2000109.2
302A27.3Very low30.9Very low103 Ų103144.4 Ų144.485%0.85180%0.796SS**  trans-87.5156.4172.900000110.5
303G27.4Very low30.7Very low82 Ų82141.3 Ų141.385%0.84579%0.793SS**  trans128.7132.5146.700000117
304G27.2Very low30.8Very low74 Ų74143.3 Ų143.376%0.76379%0.794SS**  trans95.594.3152.600000114.7
305S28.4Very low30.3Very low99 Ų99145.9 Ų145.969%0.69280%0.795SS**  84.2117.476.4-176.40000113.5
306Q27.2Very low30.2Very low175 Ų175142.7 Ų142.782%0.81880%0.795SS**  trans44.7123.4141.8-57.8176.67.500118
307N27Very low30.3Very low134 Ų134143.6 Ų143.672%0.71780%0.799SS**  176144.190.1-141.53.8000113
308T30.9Very low29.9Very low100 Ų100142.5 Ų142.561%0.61380%0.8SS**  trans46.9118143.842.70000123
309Q24.7Very low29.7Very low176 Ų176148.4 Ų148.482%0.82280%0.8SS**  39.8115.6122.7-72.7178.32.400118.5
310M35.1Very low29.6Very low182 Ų182141.5 Ų141.590%0.89779%0.792SS**  -152.8126.7126.1-95.3-52.6169.700110.5
311N26.7Very low29.9Very low151 Ų151142.5 Ų142.581%0.80780%0.796SS**  trans-64.1132.2168.9-88.6-26.3000110.7
312H34.9Very low29.4Very low169 Ų169141.9 Ų141.978%0.78279%0.793SS**  trans-146121.9145.6-87-64.1000110.4
313P29.9Very low29.5Very low122 Ų122142.4 Ų142.479%0.79279%0.79SS**  trans-86.6111.1176.531.4-27.3000109.9
314Y31.8Very low29.6Very low223 Ų223146.1 Ų146.188%0.87579%0.785SS**  trans-88.9107169.1-99.6-89.2000110G316Y314-G316 PolarHBondContact O-N 3.43Å
315H30.2Very low29.4Very low176 Ų176149.1 Ų149.182%0.81579%0.789SS**  trans-73.993.2166.2-135.150.6000107.9
316G30.9Very low29.4Very low69 Ų69154.4 Ų154.471%0.71180%0.795SS**  trans-96.8107178.300000110.8Y314 N318Y314-G316 PolarHBondContact O-N 3.43Å; G316-N318 PolarHBondContact O-N 3.31Å
317H33.1Very low29.3Very low171 Ų171149 Ų14979%0.79279%0.785SS**  trans-56.1127.8179.3-72-82.2000113R319H317-R319 PolarHBondContact O-N 2.96Å
318N27.5Very low29.3Very low175 Ų175149.7 Ų149.794%0.93679%0.789SS**  trans-55.3103.4161.3-83.2-41.7000109.8G316G316-N318 PolarHBondContact O-N 3.31Å
319R25.9Very low29.1Very low226 Ų226153.7 Ų153.785%0.85380%0.801SS**  trans-108.5106.3162.7-162.2171.5-165.8160.73.2108.1H317H317-R319 PolarHBondContact O-N 2.96Å
320A27.8Very low29.3Very low82 Ų82153.2 Ų153.268%0.67880%0.798SS**PPolyproline II helixtrans-56.3135172.600000109.8Q322A320-Q322 PolarHBondContact O-N 3.49Å
321P33.9Very low29Very low130 Ų130152.6 Ų152.684%0.84480%0.798SS**PPolyproline II helixtrans-69.3123.8177.1-620.4000109.1S323P321-S323 PolarHBondContact O-N 3.3Å
322Q30Very low29.1Very low161 Ų161152.8 Ų152.875%0.75280%0.799SS**PPolyproline II helixtrans-64.8130.1170.6-76.7172-29.500109.8A320 H324A320-Q322 PolarHBondContact O-N 3.49Å; Q322-H324 PolarHBondContact O-N 2.89Å; Q322-H324 VanDerWaalsContact O-N 3.11Å
323S28.3Very low28.7Very low113 Ų113155.9 Ų155.979%0.7980%0.804SS**  trans-56.6103.9172.349.90000111.3P321 V325P321-S323 PolarHBondContact O-N 3.3Å; S323-V325 PolarHBondContact O-N 3.19Å
324H30.4Very low28.7Very low161 Ų161155.6 Ų155.675%0.74581%0.805SS**  trans-87105.2166.2-96.2-78.5000109.3Q322 Y326Q322-H324 PolarHBondContact O-N 2.89Å; Q322-H324 VanDerWaalsContact O-N 3.11Å; H324-Y326 PolarHBondContact O-N 3.44Å
325V23.7Very low28.7Very low137 Ų137153.7 Ų153.783%0.8380%0.803SS**  trans-65.2104.5167.8175.50000107.7S323S323-V325 PolarHBondContact O-N 3.19Å
326Y27.4Very low28.9Very low210 Ų210150.9 Ų150.982%0.82480%0.803SS**  trans-103.9113.1168.2-106.1-85.3000109.7H324H324-Y326 PolarHBondContact O-N 3.44Å
327G25.3Very low29Very low60 Ų60154.9 Ų154.962%0.61981%0.809SS**  trans46.3109.4134.300000119.4E329G327-E329 PolarHBondContact O-N 3.29Å
328N26.7Very low28.9Very low149 Ų149157.9 Ų157.980%0.79781%0.813SS**  trans-50100.6155.8-80.2-14.6000111.7H330N328-H330 PolarHBondContact O-N 2.75Å
329E27.7Very low29.2Very low185 Ų185154.7 Ų154.786%0.86480%0.802SS**  trans-87.498.6160.5-68.1-158.7132.500109.1G327 L331G327-E329 PolarHBondContact O-N 3.29Å; E329-L331 PolarHBondContact O-N 2.62Å
330H28.5Very low29.6Very low165 Ų165150.3 Ų150.376%0.76480%0.803SS**  trans-59.793.9170.9-80.9-100.8000110.2N328 N332N328-H330 PolarHBondContact O-N 2.75Å; H330-N332 PolarHBondContact O-N 2.72Å
331L28.9Very low29.8Very low169 Ų169149.7 Ų149.789%0.88580%0.804SS**  trans-70.397.4165.3-77.2167.7000109.1E329 R333E329-L331 PolarHBondContact O-N 2.62Å; L331-R333 PolarHBondContact O-N 3.22Å
332N28.3Very low29.8Very low155 Ų155150.1 Ų150.183%0.82981%0.807SS**  trans-59.890.3177-141.1-9.2000109.8H330 S334H330-N332 PolarHBondContact O-N 2.72Å; N332-S334 PolarHBondContact O-N 3.17Å; N332-S334 VanDerWaalsContact O-N 3.17Å
333R27.1Very low29.9Very low235 Ų235145.2 Ų145.289%0.88780%0.799SS**  trans-73.3106.3173.3-112.1-177.8-179.7175.41.6108.4L331 H335L331-R333 PolarHBondContact O-N 3.22Å; R333-H335 PolarHBondContact O-N 3.09Å
334S29.6Very low30.3Very low116 Ų116147.6 Ų147.681%0.81180%0.804SS**  trans-50121.4177.6-53.30000111.8N332 S336N332-S334 PolarHBondContact O-N 3.17Å; N332-S334 VanDerWaalsContact O-N 3.17Å; S334-S336 PolarHBondContact O-N 3.43Å; S334-S336 VanDerWaalsContact O-N 3.1Å
335H31.8Very low30.6Very low182 Ų182147.8 Ų147.884%0.84381%0.81SS**  trans-59106.4168.5-83.2-91.9000109.9R333 N337R333-H335 PolarHBondContact O-N 3.09Å; H335-N337 PolarHBondContact O-N 3.05Å
336S34.8Very low31.1Very low117 Ų117149.7 Ų149.782%0.81881%0.81SS**  trans-79.1108.2162.8-175.70000108.2S334 R338S334-S336 PolarHBondContact O-N 3.43Å; S334-S336 VanDerWaalsContact O-N 3.1Å; S336-R338 PolarHBondContact O-N 2.9Å; S336-R338 VanDerWaalsContact O-N 3.08Å
337N32.9Very low31.5Very low154 Ų154145 Ų14582%0.82481%0.805SS**  trans-58.1103.7172.8-75.5-34.6000109.9H335H335-N337 PolarHBondContact O-N 3.05Å
338R30Very low32.2Very low233 Ų233147.3 Ų147.388%0.87980%0.803SS**  trans-98.4122.4166-164.9174.9-175.1-171.1-0109.1S336S336-R338 PolarHBondContact O-N 2.9Å; S336-R338 VanDerWaalsContact O-N 3.08Å
339P33.4Very low33Very low109 Ų109146.4 Ų146.471%0.70881%0.806SS**  trans-68.5148.1-177.226.2-33.4000112.1G341P339-G341 PolarHBondContact O-N 3.28Å
340P34.6Very low33.5Very low134 Ų134146.6 Ų146.687%0.8780%0.803SS**  trans-74113.4-177.828.2-31.3000110.9
341G33.6Very low33.6Very low69 Ų69149.2 Ų149.271%0.71181%0.806SS**  trans-90.6131.5166.300000110.2P339P339-G341 PolarHBondContact O-N 3.28Å
342P33.1Very low33.8Very low139 Ų139149.4 Ų149.490%0.90380%0.803SS**  trans-81.2131.6178.833.5-30.5000109.2
343G32.8Very low33.9Very low57 Ų57152.6 Ų152.659%0.58880%0.803SS**  trans176.998.9176.600000110.1N345G343-N345 PolarHBondContact O-N 2.88Å
344N35.2Very low34.2Very low164 Ų164149.2 Ų149.288%0.87780%0.796SS**  trans-49.3102.8171.1-69.2-25.3000109.5E346N344-E346 PolarHBondContact O-N 3.37Å
345N37Very low34.3Very low164 Ų164150 Ų15088%0.87779%0.791SS**  trans-77.983.5167.1-76.3-39.9000107.2G343G343-N345 PolarHBondContact O-N 2.88Å
346E33.5Very low34.2Very low178 Ų178150.7 Ų150.783%0.83279%0.786SS**  trans-62.2127.6168-157.6170.2127.100108.6N344 D348N344-E346 PolarHBondContact O-N 3.37Å; E346-D348 PolarHBondContact O-N 3.44Å
347P36.3Very low34.1Very low111 Ų111150.5 Ų150.572%0.72178%0.782SS**  trans-71118.9-17325.7-31.3000110.8P349P347-P349 VanDerWaalsContact O-CD 3.26Å; P347-P349 WeakPolarHBondContact O-CD 3.04Å; P347-P349 VanDerWaalsContact O-N 3.14Å
348D40.3Very low33.7Very low109 Ų109152.6 Ų152.658%0.58378%0.784SS**  trans-54.9112.9175.9-177.5-4.6000111.1E346 K350 R351E346-D348 PolarHBondContact O-N 3.44Å; D348-K350 PolarHBondContact O-N 3.44Å; D348-K350 WeakPolarHBondContact OD1-CB 3.16Å; D348-K350 PolarHBondContact OD1-N 3.45Å; D348-R351 PolarHBondContact O-N 2.84Å
349P43.3Very low33.8Very low130 Ų130146.8 Ų146.884%0.84478%0.776SS**THydrogen-bonded Turntrans-70.1-1.7-175.826.9-32.3000113.6P347P347-P349 VanDerWaalsContact O-CD 3.26Å; P347-P349 WeakPolarHBondContact O-CD 3.04Å; P347-P349 VanDerWaalsContact O-N 3.14Å
350K38.2Very low33.6Very low188 Ų188148.8 Ų148.882%0.81778%0.781SS**THydrogen-bonded Turntrans-90.2-1.6176.8-64.2-174.2-179.5178.90114.4D348 Q352D348-K350 PolarHBondContact O-N 3.44Å; D348-K350 WeakPolarHBondContact OD1-CB 3.16Å; D348-K350 PolarHBondContact OD1-N 3.45Å; K350-Q352 PolarHBondContact O-N 3.15Å
351R30.2Very low33.4Very low220 Ų220151.4 Ų151.483%0.8378%0.782SS**  trans-86.987.6177.9-134.7177.1-170.9-149.81.1110.6D348 R353D348-R351 PolarHBondContact O-N 2.84Å; R351-R353 PolarHBondContact O-N 3.12Å
352Q34.3Very low33.2Very low174 Ų174153 Ų15381%0.81378%0.781SS**  trans-57.9103.4168.4-107171.22.400109.4K350 F354K350-Q352 PolarHBondContact O-N 3.15Å; Q352-F354 PolarHBondContact O-N 3.26Å
353R30.4Very low33.1Very low221 Ų221155.1 Ų155.183%0.83478%0.779SS**  trans-66.1110.6169.6-80.2-170.9-177.3169.32108.2R351 D355R351-R353 PolarHBondContact O-N 3.12Å; R353-D355 PolarHBondContact O-N 3.33Å
354F32.9Very low32.8Very low165 Ų165164 Ų16472%0.72480%0.795SS**  trans-81.661.6176.1-128.4-92.7000109.4Q352 R356Q352-F354 PolarHBondContact O-N 3.26Å; F354-R356 HydrophobicContact CD1-CB 4.36Å; F354-R356 PolarHBondContact O-N 3.27Å
355D32.2Very low32.5Very low133 Ų133161 Ų16171%0.71179%0.787SS**  trans-78.776.7169.4-71.5-45.9000107.8R353R353-D355 PolarHBondContact O-N 3.33Å
356R29.2Very low32.2Very low195 Ų195159.1 Ų159.174%0.73678%0.783SS**  trans-93.5114.8173.2-153.1170-156.2163.86.1108.5F354 F358F354-R356 HydrophobicContact CD1-CB 4.36Å; F354-R356 PolarHBondContact O-N 3.27Å; R356-F358 PolarHBondContact O-N 3.45Å
357P32.1Very low32Very low114 Ų114159.3 Ų159.374%0.7478%0.784SS**  trans-67.6131.6176-8.823.5000109.1P359P357-P359 WeakPolarHBondContact O-CD 3.15Å
358F24.7Very low31.9Very low198 Ų198159.6 Ų159.687%0.86879%0.785SS**  trans-64.4121.5169-83.1-93.5000109.3R356 N360R356-F358 PolarHBondContact O-N 3.45Å; F358-N360 PolarHBondContact O-N 3.26Å
359P32.4Very low31.6Very low110 Ų110163.4 Ų163.471%0.71480%0.799SS**  trans-75.7114.4169.827.9-25.7000108.5P357 Q361P357-P359 WeakPolarHBondContact O-CD 3.15Å; P359-Q361 VanDerWaalsContact C-N 3.26Å; P359-Q361 PolarHBondContact O-N 3.32Å
360N29.5Very low30.8Very low152 Ų152165.4 Ų165.481%0.81380%0.802SS**  trans-58.987.5162-91.7-11.6000109F358 C362F358-N360 PolarHBondContact O-N 3.26Å; N360-C362 VanDerWaalsContact C-N 3.27Å; N360-C362 PolarHBondContact O-N 3.18Å
361Q30.7Very low30.6Very low189 Ų189162 Ų16288%0.88380%0.802SS**  trans-84.586.2156.7-92.5-172.522.600108.1P359P359-Q361 VanDerWaalsContact C-N 3.26Å; P359-Q361 PolarHBondContact O-N 3.32Å
362C28.9Very low30.6Very low102 Ų102155.3 Ų155.369%0.68980%0.802SS**  trans-54.6136.3166-70.80000110.8N360 R364N360-C362 VanDerWaalsContact C-N 3.27Å; N360-C362 PolarHBondContact O-N 3.18Å; C362-R364 PolarHBondContact O-N 3.21Å
363Q30.4Very low30.3Very low184 Ų184150.5 Ų150.586%0.8680%0.799SS**  trans-32.2113.1158.7-58.7179.53.800111.9
364R27.9Very low30.4Very low244 Ų244149.6 Ų149.692%0.92180%0.804SS**  trans-99.293.2157.9-83.6-170.8-178-139.41.4107.7C362C362-R364 PolarHBondContact O-N 3.21Å
365S27.4Very low30.2Very low101 Ų101150.2 Ų150.271%0.70681%0.809SS**PPolyproline II helixtrans-65.1130.5160-66.70000108.5Q367S365-Q367 PolarHBondContact O-N 3.2Å
366P32.3Very low30.8Very low123 Ų123148.7 Ų148.780%0.79981%0.806SS**PPolyproline II helixtrans-72.7118.9177.57.54.1000109.4
367Q29.2Very low31.1Very low183 Ų183147.8 Ų147.886%0.85582%0.816SS**PPolyproline II helixtrans-72.2129.2163.2-90-168.4-27.600109.3S365S365-Q367 PolarHBondContact O-N 3.2Å
368P34Very low31Very low116 Ų116145.1 Ų145.175%0.75381%0.809SS**PPolyproline II helixtrans-73.3125.7168.9-8.224.3000109.6L370P368-L370 PolarHBondContact O-N 3.38Å
369H32.6Very low31.3Very low189 Ų189142.7 Ų142.788%0.87581%0.811SS**  trans-64.2116168.7-97.8-89000109.7S371H369-S371 PolarHBondContact O-N 3.24Å
370L28.2Very low31.5Very low172 Ų172142.4 Ų142.490%0.90182%0.817SS**  trans-70.5110.1167.6-68.5159000108.4P368P368-L370 PolarHBondContact O-N 3.38Å
371S32.9Very low31.3Very low117 Ų117146.7 Ų146.782%0.81882%0.822SS**  trans-109.1126.7159.8-82.10000108.3H369H369-S371 PolarHBondContact O-N 3.24Å
372G30.2Very low31.8Very low80 Ų80143.2 Ų143.283%0.82582%0.816SS**  trans-53.7154.7-177.400000113.2
373G27.7Very low32.1Very low73 Ų73143.8 Ų143.875%0.75382%0.818SS**  cis94.869.737.900000109.2
374H33Very low32Very low201 Ų201145.9 Ų145.993%0.93182%0.82SS**  trans-140.3123.9153.4-108.362.2000108.4
375H29.5Very low32.2Very low179 Ų179138.2 Ų138.283%0.82982%0.817SS**  trans-117.6-177.5-176-129.1-65.9000105.9
376P43.8Very low32.2Very low101 Ų101143.3 Ų143.366%0.65682%0.82SS**  -117.6174.3-82.935-16.8000112.9
377D34.9Very low32.4Very low176 Ų176145.5 Ų145.594%0.94183%0.825SS**  trans-174.1142.5149.6-97-24.6000105.6
378G30.6Very low32.2Very low58 Ų58144 Ų14460%0.59882%0.818SS**  cis162.312210.500000105.4
379T31.5Very low32.2Very low147 Ų147145.9 Ų145.990%0.90282%0.817SS**  trans33.5117.5147.845.50000120.8
380A35.5Very low31.9Very low104 Ų104144 Ų14486%0.8681%0.809SS**  -163.1110.7128.700000110.6
381R26.2Very low31.8Very low242 Ų242142.4 Ų142.491%0.91380%0.801SS**  trans-123.1119.7170.8-163-173.4-164.9-167.65.3106.7
382P41.3Very low31.8Very low115 Ų115142.1 Ų142.175%0.74780%0.799SS**  trans-106.8163.7158.127.2-12000111.1
383P35.8Very low31.5Very low114 Ų114149.6 Ų149.674%0.7480%0.802SS**  trans-107.5158.8-156.730-14.1000114.4
384Y27.1Very low31.5Very low228 Ų228154.1 Ų154.189%0.89481%0.808SS**  trans10.4108.6147.5-76.5-92.1000117.9
385G32.4Very low31.4Very low83 Ų83152.1 Ų152.186%0.85680%0.804SS**  trans-111.2118.8151.500000108.5
386R27.3Very low31.3Very low208 Ų208149 Ų14979%0.78580%0.803SS**  trans-107.6117.4178.9178.1-164-128.4-149.92.2105
387D36.2Very low30.7Very low169 Ų169147.8 Ų147.890%0.90481%0.808SS**  trans-142.7131.1161.2-85.6-45.6000110.1
388E25.6Very low30.2Very low151 Ų151146.6 Ų146.671%0.70680%0.802SS**  trans-83.2-179.1-177.8-65.2169.5133.100110.7
389H33.7Very low30.3Very low157 Ų157148.9 Ų148.973%0.72781%0.809SS**  trans10798.3173.3-65.6-74.3000114.2
390E26.8Very low30.2Very low149 Ų149153 Ų15370%0.69681%0.808SS**  9211572.9-93.4-174.715300112.1
391D26.8Very low29.8Very low138 Ų138153.3 Ų153.374%0.73880%0.804SS**  trans85.1148.3133.6-76.3-27.5000123.4
392S31.3Very low30.2Very low112 Ų112148 Ų14878%0.78380%0.798SS**  trans87.880.5158.553.50000118.8
393R25Very low29.6Very low236 Ų236150.9 Ų150.989%0.89180%0.799SS**  2.3148.3124-61.3177.1173176.7-1.4117.8
394L26.5Very low29.6Very low168 Ų168151.5 Ų151.588%0.8880%0.803SS**  trans96.5101.8156.4-52175.1000115.6
395N31.7Very low29.7Very low159 Ų159147.4 Ų147.485%0.8580%0.802SS**  -161.7118.6112.6-147.6-5.7000112.1G397N395-G397 PolarHBondContact O-N 3.01Å
396S28.2Very low29.6Very low115 Ų115146.4 Ų146.480%0.80479%0.792SS**  trans-81.9101.8168.1152.40000108.1
397G31Very low29.7Very low74 Ų74145.7 Ų145.776%0.76380%0.797SS**  trans-109.787.1174.800000111.6N395 S399N395-G397 PolarHBondContact O-N 3.01Å; G397-S399 PolarHBondContact O-N 3.19Å
398N24.5Very low29.6Very low152 Ų152143 Ų14381%0.81379%0.789SS**  trans-71118169.9-173.926.9000109.5
399S31.5Very low30Very low106 Ų106145.2 Ų145.274%0.74180%0.799SS**  trans-165.5121.9161-88.40000114.8G397G397-S399 PolarHBondContact O-N 3.19Å
400R30.3Very low29.8Very low233 Ų233140.8 Ų140.888%0.87980%0.796SS**  trans75.385.9144.7-69.3179.9173.4176.3-2118.9V402R400-V402 PolarHBondContact O-N 2.93Å
401S27.6Very low29.9Very low111 Ų111141.3 Ų141.378%0.77680%0.803SS**  trans-46.7114.3143.4163.10000112.1
402V34.1Very low30.1Very low129 Ų129140.8 Ų140.878%0.78281%0.805SS**  trans-111.4113.6160176.40000107.3R400 P404R400-V402 PolarHBondContact O-N 2.93Å; V402-P404 WeakPolarHBondContact O-CD 3.34Å
403K28.4Very low30Very low176 Ų176146.8 Ų146.877%0.76581%0.811SS**  trans-73.8126.5173.8-78.7177.3172177.80109.6
404P35.5Very low30.4Very low127 Ų127141.5 Ų141.583%0.82581%0.805SS**  trans-89.5113.6156.5170.1000108.6V402 G406V402-P404 WeakPolarHBondContact O-CD 3.34Å; P404-G406 PolarHBondContact O-N 3.25Å
405T30.1Very low30.6Very low142 Ų142142.4 Ų142.487%0.87180%0.801SS**  trans-72112.1165.344.10000109.1
406G29.9Very low30.6Very low63 Ų63138.7 Ų138.765%0.64979%0.786SS**  trans-162.485172.700000109.6P404 P408P404-G406 PolarHBondContact O-N 3.25Å; G406-P408 VanDerWaalsContact O-CD 3.23Å; G406-P408 WeakPolarHBondContact O-CD 2.91Å
407H29Very low30.9Very low192 Ų192138 Ų13889%0.88977%0.773SS**  trans-71.1114.3169.7-91.4-73.7000109
408P34.2Very low31.1Very low114 Ų114137.1 Ų137.174%0.7475%0.751SS**  trans-78.8126.4161.36.613.4000106.6G406 G410G406-P408 VanDerWaalsContact O-CD 3.23Å; G406-P408 WeakPolarHBondContact O-CD 2.91Å; P408-G410 VanDerWaalsContact C-N 3.29Å; P408-G410 PolarHBondContact O-N 2.89Å
409Q32.9Very low31.5Very low197 Ų197135.5 Ų135.592%0.92174%0.742SS**  trans-59.495.4168-73.2171.1-16.200108.1N411Q409-N411 PolarHBondContact O-N 2.86Å
410G30Very low31.7Very low63 Ų63136.7 Ų136.765%0.64974%0.74SS**  trans-65.6105.8175.100000108.4P408 T412P408-G410 VanDerWaalsContact C-N 3.29Å; P408-G410 PolarHBondContact O-N 2.89Å; G410-T412 PolarHBondContact O-N 3.46Å
411N29.4Very low31.9Very low160 Ų160129.4 Ų129.486%0.85671%0.713SS**  trans-53.1103.1174.8-151.811.5000108.4Q409 R413Q409-N411 PolarHBondContact O-N 2.86Å; N411-R413 PolarHBondContact O-N 3.38Å
412T31.3Very low32.3Very low128 Ų128129.5 Ų129.579%0.78570%0.7SS**  trans-68.779.5179.528.70000108.9G410 V414G410-T412 PolarHBondContact O-N 3.46Å; T412-V414 PolarHBondContact O-N 2.69Å
413R29.5Very low32.2Very low237 Ų237129.5 Ų129.589%0.89470%0.696SS**  trans-70.291.7165.3-159.7176.5-169.8-1802.3106.3N411 K415N411-R413 PolarHBondContact O-N 3.38Å; R413-K415 PolarHBondContact O-N 3.37Å
414V33.3Very low32.4Very low126 Ų126127.1 Ų127.176%0.76469%0.692SS**  trans-50.2107.8173.7179.20000107T412T412-V414 PolarHBondContact O-N 2.69Å
415K31.1Very low32.2Very low187 Ų187127.1 Ų127.181%0.81369%0.685SS**PPolyproline II helixtrans-64.1125.2167.9-82.7-179.7175.3177.10105.6R413 D417R413-K415 PolarHBondContact O-N 3.37Å; K415-D417 PolarHBondContact O-N 2.91Å
416P30.4Very low32.3Very low81 Ų81126.2 Ų126.253%0.52667%0.674SS.*PPolyproline II helixtrans-56.5127.1174.422.4-30.4000108.2L418 Y421P416-L418 PolarHBondContact O-N 2.77Å; P416-Y421 HydrophobicContact CB-CE2 4.33Å
417D35.7Very low32.5Very low101 Ų101130.1 Ų130.154%0.5468%0.675SS.*PPolyproline II helixtrans-66.6125.7-177.5-156.1-22.3000108K415 N419 D420K415-D417 PolarHBondContact O-N 2.91Å; D417-N419 PolarHBondContact O-N 3.05Å; D417-D420 WeakPolarHBondContact O-CB 3.23Å; D417-D420 PolarHBondContact O-N 3.42Å
418L35.6Very low32.7Very low54 Ų54126 Ų12628%0.28366%0.661SS.*G310 helixtrans-62.1-21.9-169.8-134.285.1000111.9W183 P416 D420 Y421 F422W183-L418 HydrophobicContact CB-CD2 3.86Å; W183-L418 HydrophobicContact CD2-CD2 4.43Å; W183-L418 HydrophobicContact CE3-CD2 4.26Å; W183-L418 HydrophobicContact CG-CD1 4.44Å; W183-L418 HydrophobicContact CG-CD2 4.31Å; P416-L418 PolarHBondContact O-N 2.77Å; L418-D420 PolarHBondContact O-N 2.92Å; L418-Y421 PolarHBondContact O-N 3.34Å; L418-Y421 VanDerWaalsContact O-N 3.08Å; L418-F422 HydrophobicContact CB-CE2 4.17Å; L418-F422 HydrophobicContact CD2-CE2 3.75Å; L418-F422 HydrophobicContact CD2-CZ 3.89Å; L418-F422 HydrophobicContact CG-CE2 4.15Å; L418-F422 VanDerWaalsContact O-CD2 3.26Å; L418-F422 WeakPolarHBondContact O-CD2 3.49Å
419N32.4Very low32.6Very low119 Ų119126.9 Ų126.964%0.63666%0.655SS**G310 helixtrans-60.8-23.7175.2-70.9-35.5000113.6D417 Y421D417-N419 PolarHBondContact O-N 3.05Å; N419-Y421 PolarHBondContact O-N 2.82Å
420D34.2Very low32.6Very low130 Ų130121.5 Ų121.570%0.69564%0.635SS**G310 helixtrans-68.1-13.6175.2-70.1-21.3000112.6D417 L418D417-D420 WeakPolarHBondContact O-CB 3.23Å; D417-D420 PolarHBondContact O-N 3.42Å; L418-D420 PolarHBondContact O-N 2.92Å
421Y36.1Very low32.8Very low80 Ų80126.3 Ų126.331%0.31463%0.633SS.*G310 helixtrans-108.2-5.7-176.8-63.8-76.9000115.2R231 P416 L418 N419R231-Y421 PolarHBondContact NH1-O 2.87Å; P416-Y421 HydrophobicContact CB-CE2 4.33Å; L418-Y421 PolarHBondContact O-N 3.34Å; L418-Y421 VanDerWaalsContact O-N 3.08Å; N419-Y421 PolarHBondContact O-N 2.82Å
422F34.7Very low33.1Very low113 Ų113123.3 Ų123.350%0.49661%0.613SS.*  trans-101.70-177.2-71.8-63.3000116.7R231 L418R231-F422 VanDerWaalsContact NH1-CA 3.28Å; R231-F422 PolarHBondContact NH1-O 3.5Å; R231-F422 PolarHBondContact NH1-OXT 3.42Å; R231-F422 PolarHBondContact NH2-O 3.09Å; R231-F422 PolarHBondContact NH2-OXT 3.31Å; L418-F422 HydrophobicContact CB-CE2 4.17Å; L418-F422 HydrophobicContact CD2-CE2 3.75Å; L418-F422 HydrophobicContact CD2-CZ 3.89Å; L418-F422 HydrophobicContact CG-CE2 4.15Å; L418-F422 VanDerWaalsContact O-CD2 3.26Å; L418-F422 WeakPolarHBondContact O-CD2 3.49Å

Retrieved 422 of 422 residues in 117.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).